 Entering Gaussian System, Link 0=g16
 Input=08_d-glucose_conformer021_wB97XD-def2SVPDr.in
 Output=08_d-glucose_conformer021_wB97XD-def2SVPDr.log
 AtFile(1): /user/pierpa/basis_sets/def2SVPD.gbs
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            P    1   1.00
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            D    4   1.00
                 19.240334928            0.27039082144D-01
                  5.1178995899           0.13803684743
                  1.6554278827           0.34869086403
                  0.54016355610          0.48594185717
            D    1   1.00
                  0.16211214518           .34374449689
            F    1   1.00
                  0.3450000              1.0000000
            ****
            -Ti     0
            S    6   1.00
              42961.5121850              0.39127635355D-02
               6450.9759169              0.29969820489D-01
               1467.7210915              0.14836352707
                414.20997355             0.51347285324
                134.48715840             1.0335365483
                 46.122209796            0.77854233930
            S    3   1.00
                 89.447762543           -0.28385401259
                 10.223346060            1.6772785333
                  4.1353774271           1.2411928456
            S    3   1.00
                  6.7896181452          -0.78399994518D-02
                  1.1106730691           0.25495493019D-01
                  0.47565975578          0.16061172892D-01
            S    1   1.00
                  0.65986956934D-01      1.0000000
            S    1   1.00
                  0.25210342250D-01      1.0000000
            P    5   1.00
                522.03684782             0.19754179642D-01
                122.68649489             0.14460677619
                 38.572903611            0.54669004165
                 13.672169319            1.0531647540
                  5.0118529359           0.69111213363
            P    3   1.00
                  2.4131928282           0.75803437136
                  0.93252270050          1.3036241399
                  0.35429058390          0.53638653300
            P    1   1.00
                  0.1015610              1.0000000
            P    1   1.00
                  0.35788253200D-01      1.0000000
            D    4   1.00
                 23.465125957            0.26536380115D-01
                  6.3332593832           0.13796453963
                  2.0766489946           0.35312644228
                  0.69027361954          0.48647124166
            D    1   1.00
                  0.21088738554           .33026314258
            F    1   1.00
                  0.5620000              1.0000000
            ****
            -V     0
            S    6   1.00
              47160.3760600              0.14498688908D-02
               7081.4110871              0.11106435251D-01
               1611.1621223              0.55005423585D-01
                454.72940551             0.19060252591
                147.71321208             0.38435022957
                 50.699538950            0.29095546792
            S    3   1.00
                 98.262492669           -0.10942337856
                 11.294293099            0.64539490399
                  4.5853360105           0.47117880777
            S    3   1.00
                  7.6359689588          -0.22454949054
                  1.2539836689           0.72594852764
                  0.53271935387          0.45560582748
            S    1   1.00
                  0.72246239566D-01      1.0000000
            S    1   1.00
                  0.27358087448D-01      1.0000000
            P    5   1.00
                580.55044988             0.97315110917D-02
                136.52341127             0.71531241137D-01
                 42.983958820            0.27197688414
                 15.282798763            0.52618988893
                  5.6202495154           0.34452533498
            P    3   1.00
                  2.7485386415           0.34040396496
                  1.0618550073           0.57983996120
                  0.40235518645          0.23911643083
            P    1   1.00
                  0.1112480              1.0000000
            P    1   1.00
                  0.35000888460D-01      1.0000000
            D    4   1.00
                 27.358434017            0.26641927050D-01
                  7.4540604253           0.13995311726
                  2.4633917847           0.35751066639
                  0.82480925277          0.48488354148
            D    1   1.00
                  0.25257904742           .32332844995
            F    1   1.00
                  0.8310000              1.0000000
            ****
            -Cr     0
            S    6   1.00
              51528.0863490              0.14405823106D-02
               7737.2103487              0.11036202287D-01
               1760.3748470              0.54676651806D-01
                496.87706544             0.18965038103
                161.46520598             0.38295412850
                 55.466352268            0.29090050668
            S    3   1.00
                107.54732999            -0.10932281100
                 12.408671897            0.64472599471
                  5.0423628826           0.46262712560
            S    3   1.00
                  8.5461640165          -0.22711013286
                  1.3900441221           0.73301527591
                  0.56066602876          0.44225565433
            S    1   1.00
                  0.71483705972D-01      1.0000000
            S    1   1.00
                  0.28250687604D-01      1.0000000
            P    5   1.00
                640.48536096             0.96126715203D-02
                150.69711194             0.70889834655D-01
                 47.503755296            0.27065258990
                 16.934120165            0.52437343414
                  6.2409680590           0.34107994714
            P    3   1.00
                  3.0885463206           0.33973986903
                  1.1791047769           0.57272062927
                  0.43369774432          0.24582728206
            P    1   1.00
                  0.1206750              1.0000000
            P    1   1.00
                  0.33978554488D-01      1.0000000
            D    4   1.00
                 27.559479426            0.30612488044D-01
                  7.4687020327           0.15593270944
                  2.4345903574           0.36984421276
                  0.78244754808          0.47071118077
            D    1   1.00
                  0.21995774311           .33941649889
            F    1   1.00
                  1.1470000              1.0000000
            ****
            -Mn     0
            S    6   1.00
              56137.0090370              0.14321304702D-02
               8429.2063943              0.10972509162D-01
               1917.8277233              0.54382468712D-01
                541.36230198             0.18884335129
                176.00069142             0.38198025054
                 60.500477010            0.29156772596
            S    3   1.00
                117.17282882            -0.10933661328
                 13.596973368            0.64305039431
                  5.5483996341           0.45848970584
            S    3   1.00
                  9.4662853530          -0.22538977259
                  1.5595006070           0.72307758657
                  0.65230205868          0.45300721536
            S    1   1.00
                  0.84003734475D-01      1.0000000
            S    1   1.00
                  0.31256098581D-01      1.0000000
            P    5   1.00
                706.00497535             0.95055518167D-02
                166.19728820             0.70356271142D-01
                 52.452061906            0.27005556982
                 18.746932862            0.52574344602
                  6.9282991622           0.34254033223
            P    3   1.00
                  3.4772204938           0.33994073736
                  1.3406906449           0.57203836254
                  0.50498803038          0.23847605831
            P    1   1.00
                  0.1276500              1.0000000
            P    1   1.00
                  0.36336999053D-01      1.0000000
            D    4   1.00
                 35.423264935            0.26985304111D-01
                  9.7814221451           0.14383458648
                  3.2673488767           0.36418958377
                  1.1026472189           0.48152670661
            D    1   1.00
                  0.33743205934           .31458754360
            F    1   1.00
                  1.3260000              1.0000000
            ****
            -Fe     0
            S    6   1.00
              60923.6406430              0.14302254466D-02
               9147.8893982              0.10958790038D-01
               2081.3505927              0.54332554248D-01
                587.55977067             0.18884995009
                191.09043990             0.38253069946
                 65.732730112            0.29308335984
            S    3   1.00
                127.25891928            -0.10964564925
                 14.830913010            0.64387631332
                  6.0653307408           0.45472347323
            S    3   1.00
                 10.449943710           -0.22539639952
                  1.7245228003           0.72164398156
                  0.71772177325          0.44985492922
            S    1   1.00
                  0.91449828308D-01      1.0000000
            S    1   1.00
                  0.33706691021D-01      1.0000000
            P    5   1.00
                773.43750995             0.94325735144D-02
                182.15149714             0.70029620575D-01
                 57.547272758            0.26993651996
                 20.614988935            0.52700011047
                  7.6348557890           0.34284148028
            P    3   1.00
                  3.8719327990           0.33974402988
                  1.4924724132           0.56842594005
                  0.56061284958          0.23649365839
            P    1   1.00
                  0.1349150              1.0000000
            P    1   1.00
                  0.36933633962D-01      1.0000000
            D    4   1.00
                 38.968133419            0.27879664382D-01
                 10.800067078            0.14858319982
                  3.6136457999           0.36905479496
                  1.2129967888           0.47745100883
            D    1   1.00
                  0.36524393170           .31418142304
            F    1   1.00
                  1.5980000              1.0000000
            ****
            -Co     0
            S    6   1.00
              65902.2082570              0.14284614936D-02
               9895.3896027              0.10946072783D-01
               2251.4305789              0.54285953890D-01
                635.61097084             0.18885179079
                206.78820681             0.38301634994
                 71.179242971            0.29443551266
            S    3   1.00
                137.77268040            -0.10990221736
                 16.118079243            0.64455537395
                  6.6030327710           0.45116787924
            S    3   1.00
                 11.479915788           -0.22593846910
                  1.8956426324           0.72231409008
                  0.78466232067          0.44903812296
            S    1   1.00
                  0.98425774432D-01      1.0000000
            S    1   1.00
                  0.35945741932D-01      1.0000000
            P    5   1.00
                843.64358575             0.93866097254D-02
                198.76386994             0.69880208716D-01
                 62.854963098            0.27037070345
                 22.562842280            0.52904786880
                  8.3713209127           0.34357029579
            P    3   1.00
                  4.2858719800           0.34027999036
                  1.6508041817           0.56693392384
                  0.61834231096          0.23617979783
            P    1   1.00
                  0.1413080              1.0000000
            P    1   1.00
                  0.37744197011D-01      1.0000000
            D    4   1.00
                 42.927867612            0.28487788365D-01
                 11.942533053            0.15206951283
                  4.0046495664           0.37310913999
                  1.3413193804           0.47549837676
            D    1   1.00
                  0.40015009743           .31346831424
            F    1   1.00
                  1.9030000              1.0000000
            ****
            -Ni     0
            S    6   1.00
              71074.8032110              0.14260386729D-02
              10672.0209410              0.10928236994D-01
               2428.1389007              0.54212626938D-01
                685.53595148             0.18874768902
                223.10072863             0.38324616985
                 76.842014042            0.29550637144
            S    3   1.00
                148.71122016            -0.11014443059
                 17.459154987            0.64521426988
                  7.1625280665           0.44797838103
            S    3   1.00
                 12.556137125           -0.22645403224
                  2.0735740488           0.72320959286
                  0.85382640602          0.44868026476
            S    1   1.00
                  0.10536766271          1.0000000
            S    1   1.00
                  0.38134087688D-01      1.0000000
            P    5   1.00
                916.73608662             0.93439635610D-02
                216.06139913             0.69737374902D-01
                 68.383914817            0.27073495012
                 24.593843952            0.53078301549
                  9.1392960204           0.34410229438
            P    3   1.00
                  4.7193371746           0.34076082016
                  1.8161849234           0.56580169611
                  0.67840750720          0.23616717361
            P    1   1.00
                  0.1465880              1.0000000
            P    1   1.00
                  0.38905548722D-01      1.0000000
            D    4   1.00
                 47.093832108            0.28982316948D-01
                 13.146463975            0.15494995950
                  4.4170548925           0.37633115111
                  1.4771565078           0.47365096014
            D    1   1.00
                  0.43735921792           .31247837833
            F    1   1.00
                  2.1740000              1.0000000
            ****
            -Cu     0
            S    6   1.00
              76381.3480560              0.14336079896D-02
              11468.7774990              0.10986749865D-01
               2609.4246495              0.54513652465D-01
                736.75033098             0.18990128258
                239.82419958             0.38581959211
                 82.656829252            0.29790607498
            S    3   1.00
                160.13544196            -0.11146778567
                 18.834177695            0.65349301031
                  7.7176595741           0.44770534421
            S    3   1.00
                 13.710846717           -0.22870911122
                  2.2349895670           0.73464423031
                  0.87818360069          0.43273070874
            S    1   1.00
                  0.87187458064D-01      1.0000000
            S    1   1.00
                  0.32969114665D-01      1.0000000
            P    5   1.00
                991.24075782             0.93878498798D-02
                233.69376116             0.70208282458D-01
                 74.020930927            0.27323522220
                 26.664967447            0.53580792728
                  9.9192087478           0.34575794906
            P    3   1.00
                  5.1519553926           0.34229108083
                  1.9638205828           0.56456592484
                  0.71560097037          0.24078584318
            P    1   1.00
                  0.1550650              1.0000000
            P    1   1.00
                  0.38734214974D-01      1.0000000
            D    4   1.00
                 47.335049590            0.32375547758D-01
                 13.161666077            0.16810218684
                  4.3693777244           0.38477707982
                  1.4132925109           0.46147880178
            D    1   1.00
                  0.38878001452           .32388873258
            F    1   1.00
                  2.2330000              1.0000000
            ****
            -Zn     0
            S    6   1.00
              82000.7116290              0.14210764000D-02
              12312.4717770              0.10891499487D-01
               2801.3944193              0.54057188059D-01
                790.99424302             0.18847463904
                257.56551079             0.38346549346
                 88.814933400            0.29723794197
            S    3   1.00
                171.86353716            -0.11051849523
                 20.302534785            0.64607716984
                  8.3464123068           0.44220117322
            S    3   1.00
                 14.847536940           -0.22705309278
                  2.4495029507           0.72433217935
                  0.99845821824          0.44836495592
            S    1   1.00
                  0.11891307937          1.0000000
            S    1   1.00
                  0.42297428760D-01      1.0000000
            P    5   1.00
               1071.5185372              0.92767797235D-02
                252.69712152             0.69541149434D-01
                 80.100829126            0.27156772564
                 28.903393172            0.53401355573
                 10.768899879            0.34501323446
            P    3   1.00
                  5.6446212530           0.34129600164
                  2.1678291347           0.56390521973
                  0.80540898341          0.23676109735
            P    1   1.00
                  0.1624550              1.0000000
            P    1   1.00
                  0.42022716037D-01      1.0000000
            D    4   1.00
                 56.088939191            0.29588869140D-01
                 15.751908917            0.158725714045
                  5.3115812367           0.379762291591
                  1.7737904917           0.468989591719
            D    1   1.00
                  0.51975583665           .309071490776
            F    1   1.00
                  2.6140000              1.0000000
            ****
            -Ga     0
            S    6   1.00
              87842.1262960              0.14271588798D-02
              13189.4964020              0.10938894097D-01
               3000.9482141              0.54308200127D-01
                847.38425966             0.18951055983
                276.00980642             0.38615185918
                 95.216672071            0.30051082719
            S    3   1.00
                184.00703968            -0.11124461963
                 21.827051433            0.64831322918
                  9.0026963761           0.44358383594
            S    3   1.00
                 16.033176938           -0.23014299555
                  2.6707724878           0.72946861516
                  1.1252834170           0.46214976951
            S    1   1.00
                  0.15967608829          1.0000000
            S    1   1.00
                  0.57643044753D-01      1.0000000
            S    1   1.00
                  0.31819812628D-01      1.0000000
            P    5   1.00
               1167.2665844              0.90974021307D-02
                275.38062789             0.68456273343D-01
                 87.375073070            0.26922293888
                 31.597254670            0.53507897882
                 11.824122798            0.35279062760
            P    3   1.00
                  6.2881845133           0.33938244530
                  2.5199853240           0.56871947608
                  1.0169726306           0.27717694939
            P    1   1.00
                  0.24748373604          1.0000000
            P    1   1.00
                  0.66685294163D-01      1.0000000
            D    4   1.00
                 65.354237674            0.27370146382D-01
                 18.504656747            0.15099463976
                  6.3179620632           0.37485328545
                  2.1641389426           0.47510606851
            D    1   1.00
                  0.66693092754           .29843287401
            D    1   1.00
                  0.2070000              1.0000000
            D    1   1.00
                  0.49799390975D-01      1.0000000
            ****
            -Ge     0
            S    6   1.00
              93889.8366420              0.14233976060D-02
              14097.4975280              0.10910795654D-01
               3207.5477309              0.54183705943D-01
                905.76727269             0.18922820349
                295.11014693             0.38612847001
                101.84713141             0.30164050736
            S    3   1.00
                196.56719662            -0.11118770940
                 23.405292522            0.64616007369
                  9.6839116702           0.44188904568
            S    3   1.00
                 17.269736544           -0.23027421375
                  2.8964622160           0.73017169398
                  1.2553621412           0.46197222255
            S    1   1.00
                  0.20213081492          1.0000000
            S    1   1.00
                  0.73867910982D-01      1.0000000
            S    1   1.00
                  0.43410224935D-01      1.0000000
            P    5   1.00
               1259.2085995              0.90115464252D-02
                297.15626382             0.67986841689D-01
                 94.353387522            0.26853856488
                 34.176329677            0.53659649219
                 12.816139615            0.35633514961
            P    3   1.00
                  6.8471029784           0.33900693119
                  2.7717363939           0.56809365264
                  1.1458418175           0.27246539884
            P    1   1.00
                  0.30679631536          1.0000000
            P    1   1.00
                  0.89283644115D-01      1.0000000
            D    4   1.00
                 74.782168177            0.25755860205D-01
                 21.310849759            0.14536816132
                  7.3464792363           0.37134209859
                  2.5656271395           0.48002998436
            D    1   1.00
                  0.81981773070           .28978790744
            D    1   1.00
                  0.2460000              1.0000000
            D    1   1.00
                  0.66328328796D-01      1.0000000
            ****
            -As     0
            S    6   1.00
             100146.5255400              0.14258349617D-02
              15036.8617110              0.10930176963D-01
               3421.2902833              0.54294174610D-01
                966.16965717             0.18976078153
                314.87394026             0.38775195453
                108.70823790             0.30402812040
            S    3   1.00
                209.54238950            -0.11162094204
                 25.038221139            0.64697607762
                 10.390964343            0.44223608673
            S    3   1.00
                 18.555090093           -0.22994190569
                  3.1281217449           0.73319107613
                  1.3884885073           0.45533653943
            S    1   1.00
                  0.24714362141          1.0000000
            S    1   1.00
                  0.91429428670D-01      1.0000000
            S    1   1.00
                  0.55939685220D-01      1.0000000
            P    5   1.00
               1355.6443507              0.89182507898D-02
                319.99929270             0.67454750717D-01
                101.67734092             0.26759772110
                 36.886323845            0.53776844520
                 13.861115909            0.35992570244
            P    3   1.00
                  7.4260666912           0.34036849637
                  3.0316247187           0.57030149334
                  1.2783078340           0.26606170238
            P    1   1.00
                  0.37568503356          1.0000000
            P    1   1.00
                  0.11394805454          1.0000000
            D    4   1.00
                 84.445514539            0.24518402724D-01
                 24.190416102            0.14107454677
                  8.4045015119           0.36875228915
                  2.9808970748           0.48409561362
            D    1   1.00
                  0.97909243359           .28250268781
            D    1   1.00
                  0.2930000              1.0000000
            D    1   1.00
                  0.84097628016D-01      1.0000000
            ****
            -Se     0
            S    6   1.00
             106612.2002700              0.14274889113D-02
              16007.6047010              0.10943525114D-01
               3642.1699707              0.54374171596D-01
               1028.5912993              0.19018092947
                335.30298888             0.38913021696
                115.80129154             0.30620207088
            S    3   1.00
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            ****
            -Sb     0
            S    6   1.00
                372.76139166             0.15878057239D-02
                 22.689478596           -0.15027605583
                 18.391547037            0.35915813039
                  7.6406271414          -0.74805091065
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            S    2   1.00
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            S    1   1.00
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                 10.052739237           -0.41511149340
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            P    1   1.00
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            P    1   1.00
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                 18.504059617           -0.54952972010D-02
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                  1.7142196009           0.51273377761
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            D    1   1.00
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            ****
            -Te     0
            S    6   1.00
                396.47954659             0.26307731203D-02
                 21.919773309           -0.13203517066
                 18.061271390            0.36203197834
                  8.1403463241          -0.75591120276
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            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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                 10.433943171           -0.41205302672
                  1.3623024763           0.78760578076
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 18.884095378           -0.35221408938D-02
                  4.2527304630           0.28254216065
                  1.8757557092           0.52039372916
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            D    1   1.00
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            D    1   1.00
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            ****
            -I     0
            S    6   1.00
                445.90489176             0.20037290389D-02
                 23.336842412           -0.14989397324
                 19.583446104            0.36436474913
                  8.5112089186          -0.75538138199
                  2.1996161861           0.82816359356
                  1.0668970454           0.42161048110
            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 20.499027254            0.77159335656D-01
                 10.558754576           -0.38370372780
                  1.5015895485           0.83554174719
                  0.64597173095          0.16787259488
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 51.235354920            0.40345130346D-02
                 15.616239482           -0.50768108881D-02
                  4.5266002139           0.29151065356
                  2.0529808766           0.51145783605
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            D    1   1.00
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            D    1   1.00
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            ****
            -Xe     0
            S    5   1.00
               6420.2481656              0.25092173886D-03
                983.54530664             0.16251948178D-02
                219.43881364             0.46037106451D-02
                 23.012587807           -0.14698707182
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            S    2   1.00
                 11.752550163            0.66038420156
                  6.2390917199           0.38470524721
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 13.960683826           -0.50950157807D-01
                  4.0928947097           0.36669211800
                  2.2546815460           0.72619456861
                  1.1546596184           0.35555871740
            P    3   1.00
                193.81432545             0.95394802497D-03
                 21.725228086            0.57393353332D-01
                  9.8891605641          -0.27974266640
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    6   1.00
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                 38.727062692            0.60897654151D-02
                 15.377328089           -0.92782985596D-02
                  5.2602537686           0.22890785589
                  2.6590627424           0.44434407051
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            D    1   1.00
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            ****
            -Cs     0
            S    3   1.00
                  5.8778113443           0.12859994983
                  4.3631538286          -0.34632569725
                  1.8048475155           0.69930637051
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  1.9656663360          -0.25019961976
                  0.47689195212          0.55660850066
                  0.21529749588          0.58218553406
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    1   1.00
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            D    1   1.00
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            ****
            -Ba     0
            S    3   1.00
                  2.3961900000          -5.9554766710
                  2.2433050000           6.6805648241
                  0.71740200000         -0.57055347037
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.5207180000          -1.0707548832
                  0.67578180854          0.34940781448
                  0.31985844531          0.65041110673
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.1038910              0.4732600
            D    1   1.00
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            F    4   1.00
                 10.00                   0.073
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                  1.00                   0.350
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            ****
            -La     0
            S    2   1.00
                  5.0873990000          -0.44173707857
                  4.2709780000           0.85812489720
            S    1   1.00
                  2.1823803999           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.3820950000           0.51718364643673D+00
                  0.67246658081         -0.44823115995325D+00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.89049882672          0.25137236211233D+00
                  0.32947291040          0.44604068239531D+00
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            D    1   1.00
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            ****
            -Hf     0
            S    2   1.00
                 14.592485000           -0.80196298812
                 11.547491000            1.5261602829
            S    1   1.00
                  4.9112973928           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  5.9599790000          -0.83713508620273
                  1.0921117054           0.50570506286223
                  0.49702823217          0.51965388690539
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  1.3077987772           0.18409232564002
                  0.53272310298          0.41484423515705
                  0.20564954488          0.44224303496859
            D    1   1.00
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            F    1   1.00
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            ****
            -Ta     0
            S    2   1.00
                 14.400000000            0.99343296745
                 12.000000000           -1.6510077975
            S    1   1.00
                  5.0701477302           1.0000000
            S    1   1.00
                  0.86033356487          1.0000000
            S    1   1.00
                  0.37158938894          1.0000000
            S    1   1.00
                  0.10745336254          1.0000000
            S    1   1.00
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                  5.6984100000          -0.46968874449
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                  0.54478533555          0.52298161137
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.61042908544          0.42959071631
                  0.24216276510          0.43497228231503D+00
            D    1   1.00
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            ****
            -W     0
            S    2   1.00
                 15.000000000           -0.53315505392
                 12.000000000            1.0014141748
            S    1   1.00
                  5.2610967725           1.0000000
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                  0.11585976646          1.0000000
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                  6.0848760000          -0.66720686321
                  1.2523777812           0.52090351989
                  0.58569208922          0.51885687511
            P    1   1.00
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            D    4   1.00
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                  0.69187452392          0.44121676843
                  0.27865835325          0.43158409241461D+00
            D    1   1.00
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            ****
            -Re     0
            S    2   1.00
                 14.781862000           -1.1395193885
                 12.324075000            1.9371421121
            S    1   1.00
                  5.5098597284           1.0000000
            S    1   1.00
                  0.98874104687          1.0000000
            S    1   1.00
                  0.42833312030          1.0000000
            S    1   1.00
                  0.12296804533          1.0000000
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            P    4   1.00
                  7.4040050000           0.54510937865
                  6.3502060000          -0.76096056536
                  1.3311713455           0.53252276765
                  0.62659600547          0.51483045040
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.78702048429          0.45160766937
                  0.32069843172          0.43261236265745D+00
            D    1   1.00
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                  0.4898900              1.0000000
            ****
            -Os     0
            S    2   1.00
                 15.286736000           -1.0647114485
                 12.700638000            1.8433193269
            S    1   1.00
                  5.7094832504           1.0000000
            S    1   1.00
                  1.0689228744           1.0000000
            S    1   1.00
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            S    1   1.00
                  0.13253456992          1.0000000
            S    1   1.00
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            P    4   1.00
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                  6.3036410000          -0.56379438345
                  1.4351579676           0.52360040577
                  0.68442749722          0.52445339821
            P    1   1.00
                  0.28347394974          1.0000000
            P    1   1.00
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            P    1   1.00
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            D    4   1.00
                  3.5808150000          -0.42773932262
                  3.1961650000           0.44501403992
                  1.0550226354           0.43689459722
                  0.41588406618          0.48220605798770D+00
            D    1   1.00
                  0.14653507868          1.0000000
            F    1   1.00
                  0.5506500              1.0000000
            ****
            -Ir     0
            S    2   1.00
                 15.293709000           -1.6731899791
                 13.573682000            2.3934378976
            S    1   1.00
                  5.8213436542           1.0000000
            S    1   1.00
                  1.1520364268           1.0000000
            S    1   1.00
                  0.51104895338          1.0000000
            S    1   1.00
                  0.14084043578          1.0000000
            S    1   1.00
                  0.49828673085D-01      1.0000000
            P    4   1.00
                  8.6697960000           0.21469187346391
                  6.2456140000          -0.44863071815131
                  1.5657036153           0.50653393256771
                  0.75577412863          0.54052273352337
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.3617430000           0.56835425804006
                  1.1177053710           0.44304381513032
                  0.44322534858          0.47078394930144
            D    1   1.00
                  0.15641305125          1.0000000
            F    1   1.00
                  0.6100800              1.0000000
            ****
            -Pt     0
            S    2   1.00
                 16.559563000           -0.53808800717
                 13.892440000            0.91402161377
            S    1   1.00
                  5.8531044732           1.0000000
            S    1   1.00
                  1.2498640609           1.0000000
            S    1   1.00
                  0.55606439459          1.0000000
            S    1   1.00
                  0.13793093812          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.2000000000          -0.95441807252
                  1.5588402917           0.57140490320
                  0.73230402180          0.49508234268
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.93629991261          0.46533857641
                  0.37160028160          0.41129165525
            D    1   1.00
                  0.13155928617          1.0000000
            F    1   1.00
                  0.6681300              1.0000000
            ****
            -Au     0
            S    2   1.00
                 20.115299000           -0.15910719389
                 12.193477000            0.79105526778
            S    1   1.00
                  6.0735294368           1.0000000
            S    1   1.00
                  1.3174451569           1.0000000
            S    1   1.00
                  0.58596768244          1.0000000
            S    1   1.00
                  0.13875427354          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.3353260000          -0.72681584494
                  1.6575296365           0.57315511417
                  0.78159310216          0.49579068859
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.5682570000           0.40197233762
                  1.2345757130           0.46001988624
                  0.48190232338          0.46152130957882D+00
            D    1   1.00
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            F    1   1.00
                  0.7248200              1.0000000
            ****
            -Hg     0
            S    2   1.00
                 26.842049000           -0.26845096483D-01
                 10.320909000            0.81771278143
            S    1   1.00
                  6.3656242291           1.0000000
            S    1   1.00
                  1.3898932095           1.0000000
            S    1   1.00
                  0.63706742699          1.0000000
            S    1   1.00
                  0.16047725098          1.0000000
            S    1   1.00
                  0.56410423453D-01      1.0000000
            P    4   1.00
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                  7.1690950000          -0.44026342153
                  1.7559567931           0.58406314464
                  0.83145670425          0.49359746203
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.4800000000           0.37748470203231
                  1.2535869926           0.48342275878173
                  0.50841366863          0.43493523158359
            D    1   1.00
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            F    1   1.00
                  0.7956900              1.0000000
            ****
            -Tl     0
            S    6   1.00
                 45.356924655            0.50938157397D-02
                 20.278843336           -0.14805704314
                 14.420612394            0.36768453564
                  6.2161909754          -0.66820394623
                  1.5002511178           0.96232806743
                  0.76330879305          0.33175999361
            S    2   1.00
                  7.8193195283          -0.18828631537D-01
                  1.3176904042           0.32093431467
            S    1   1.00
                  0.17643545481          1.0000000
            S    1   1.00
                  0.65296835238D-01      1.0000000
            S    1   1.00
                  0.24592841139D-01      1.0000000
            P    4   1.00
                  9.0323058024           0.22738839085
                  7.5356419671          -0.35117975889
                  1.0521421998           0.25690085604
                  0.50303932656          0.84549942764D-01
            P    1   1.00
                  2.0067660913           1.0000000
            P    1   1.00
                  0.16675605056          1.0000000
            P    1   1.00
                  0.48596401464D-01      1.0000000
            D    5   1.00
                  9.4421940760           0.58250776986D-01
                  7.4410003381          -0.11789199301
                  1.9831617772           0.34232057636
                  0.91671748567          0.47557282350
                  0.39647207885          0.30528029435
            D    1   1.00
                  0.15500000000          1.0000000
            D    1   1.00
                  0.39237960293D-01      1.0000000
            ****
            -Pb     0
            S    6   1.00
                 55.727520333            0.29681153058D-02
                 20.302912827           -0.14352634362
                 14.558628750            0.37554188507
                  6.5370530973          -0.67253099800
                  1.5933900686           0.95887533909
                  0.83051419711          0.32593632538
            S    2   1.00
                  8.0719473648          -0.20412061217D-01
                  1.4165737490           0.32865829049
            S    1   1.00
                  0.20418933370          1.0000000
            S    1   1.00
                  0.77159007761D-01      1.0000000
            S    1   1.00
                  0.33059793391D-01      1.0000000
            P    4   1.00
                  9.5531412199           0.20542943990
                  7.5327685129          -0.36407590058
                  1.1185539567           0.32217481686
                  0.53739855255          0.96677743015D-01
            P    1   1.00
                  2.1359869828           1.0000000
            P    1   1.00
                  0.20027494801          1.0000000
            P    1   1.00
                  0.63408011513D-01      1.0000000
            D    5   1.00
                 13.494505735            0.11571042371D-01
                  7.0609770411          -0.66746645076D-01
                  2.1581835375           0.33978760942
                  1.0148541418           0.48523039273
                  0.44632672920          0.29682924018
            D    1   1.00
                  0.17500000000          1.0000000
            D    1   1.00
                  0.50585085346D-01      1.0000000
            ****
            -Bi     0
            S    6   1.00
                175.19632102             0.80278879028D-03
                 19.820147783           -0.14624461250
                 14.960110102            0.37435719885
                  6.7065785571          -0.68476017748
                  1.7391967524           0.90967322081
                  0.94504730591          0.38695797807
            S    2   1.00
                  8.4636832909          -0.20037183144D-01
                  1.5317838545           0.31054408682
            S    1   1.00
                  0.23405391503          1.0000000
            S    1   1.00
                  0.90268814613D-01      1.0000000
            S    1   1.00
                  0.41577775054D-01      1.0000000
            P    4   1.00
                 10.672046293            0.14391258793
                  7.1992185915          -0.37994608603
                  1.5359697528           0.53268032065
                  0.72201275727          0.23037698678
            P    1   1.00
                  2.8508661858           1.0000000
            P    1   1.00
                  0.23769418731          1.0000000
            P    1   1.00
                  0.78768140453D-01      1.0000000
            D    5   1.00
                 15.834273510            0.85062993231D-02
                  7.0956896087          -0.65954380016D-01
                  2.3363137007           0.33707163406
                  1.1208861366           0.49128719933
                  0.50309487376          0.29095930644
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.62256480090D-01      1.0000000
            ****
            -Po     0
            S    6   1.00
                278.13783916             0.91690497839D-03
                 19.659291105           -0.14713009283
                 15.016229647            0.38790413631
                  7.1149978720          -0.67059966298
                  1.7879214122           0.91212928327
                  0.94021655206          0.29153755200
            S    2   1.00
                  8.7584161749          -0.21561417525D-01
                  1.6503945866           0.31638990001
            S    1   1.00
                  0.26329582133          1.0000000
            S    1   1.00
                  0.10190654304          1.0000000
            S    1   1.00
                  0.36854928339D-01      1.0000000
            P    4   1.00
                 10.445945973            0.23631841405
                  8.0293101888          -0.45017818996
                  1.3588798023           0.44160334658
                  0.66829182929          0.14575285544
            P    1   1.00
                  2.4460635387           1.0000000
            P    1   1.00
                  0.27242942777          1.0000000
            P    1   1.00
                  0.88796031338D-01      1.0000000
            P    1   1.00
                  0.24278917089D-01      1.0000000
            D    5   1.00
                 18.292670150            0.72030963652D-02
                  7.1695578539          -0.66160544754D-01
                  2.5029225180           0.34363449378
                  1.2115945443           0.50529101033
                  0.54713334240          0.28301155453
            D    1   1.00
                  0.21500000000          1.0000000
            D    1   1.00
                  0.60680939679D-01      1.0000000
            ****
            -At     0
            S    6   1.00
                303.23376176             0.63504969788D-03
                 20.289449240           -0.13823165350
                 15.383783126            0.38333193283
                  7.4702184232          -0.66837560338
                  1.8731608346           0.91545877992
                  0.97426847543          0.25559567998
            S    2   1.00
                  8.9610112498          -0.23092977605D-01
                  1.7804284294           0.31690635939
            S    1   1.00
                  0.29269461143          1.0000000
            S    1   1.00
                  0.11395353119          1.0000000
            S    1   1.00
                  0.42558321816D-01      1.0000000
            P    4   1.00
                 10.722023134            0.26194870008
                  8.4823338656          -0.46607228264
                  1.3474291294           0.42119853309
                  0.62824011467          0.10643224457
            P    1   1.00
                  2.4814896839           1.0000000
            P    1   1.00
                  0.31036518470          1.0000000
            P    1   1.00
                  0.10144862043          1.0000000
            P    1   1.00
                  0.26996558228D-01      1.0000000
            D    5   1.00
                 20.799819604            0.65227965381D-02
                  7.1664616770          -0.67780885217D-01
                  2.6934397048           0.33954991335
                  1.3175112423           0.50899559178
                  0.59997066293          0.27526771759
            D    1   1.00
                  0.23500000000          1.0000000
            D    1   1.00
                  0.67929272623D-01      1.0000000
            ****
            -Rn     0
            S    5   1.00
               5187.7442468              0.16097034848D-03
                768.14491207             0.10508214789D-02
                159.35182065             0.27375438093D-02
                 21.863432724           -0.55045904905
                 18.388689978            0.78321373922
            S    2   1.00
                 24.816226448           -0.82636797204D-01
                  7.2923301677           1.0926256000
            S    1   1.00
                  2.0850437166           1.0000000
            S    1   1.00
                  1.0915245945           1.0000000
            S    1   1.00
                  0.34915708428          1.0000000
            S    1   1.00
                  0.13648422952          1.0000000
            S    1   1.00
                  0.46837581728D-01      1.0000000
            P    4   1.00
                  9.0845000304          -0.23093917426
                  6.2631489717           0.39747614192
                  2.2545193734           0.83026693838
                  1.1180666918           0.51467013112
            P    3   1.00
                194.68918723             0.26265814046D-03
                 11.210013525            0.19952302621
                  7.5298316489          -0.45994479561
            P    1   1.00
                  0.47444492594          1.0000000
            P    1   1.00
                  0.20172354616          1.0000000
            P    1   1.00
                  0.79503144392D-01      1.0000000
            P    1   1.00
                  0.22264519316D-01      1.0000000
            D    6   1.00
                 75.302723665            0.73590238429D-03
                 17.965913830            0.89490827389D-02
                  7.3741298033          -0.76641663693D-01
                  3.2296258578           0.22975404602
                  1.7937840508           0.43991495311
                  0.94633319732          0.35259395198
            D    1   1.00
                  0.46860482223          1.0000000
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.68815941916D-01      1.0000000
            F    1   1.00
                  2.1000000              1.0000000
            F    1   1.00
                  0.4180600              1.0000000
            ****
            
            -RB     0
            RB-ECP     3     28
            f potential
              1
            2      3.8431140            -12.3169000
            s-f potential
              3
            2      5.0365510             89.5001980
            2      1.9708490              0.4937610
            2      3.8431140             12.3169000
            p-f potential
              3
            2      4.2583410             58.5689740
            2      1.4707090              0.4317910
            2      3.8431140             12.3169000
            d-f potential
              3
            2      3.0231270             26.2248980
            2      0.6503830              0.9628390
            2      3.8431140             12.3169000
            -SR     0
            SR-ECP     3     28
            f potential
              1
            2      4.6339750            -15.8059920
            s-f potential
              3
            2      7.4000740            135.4794300
            2      3.6063790             17.5344630
            2      4.6339750             15.8059920
            p-f potential
              3
            2      6.4848680             88.3597090
            2      3.2880530             15.3943720
            2      4.6339750             15.8059920
            d-f potential
              3
            2      4.6228410             29.8889870
            2      2.2469040              6.6594140
            2      4.6339750             15.8059920
            -Y     0
            Y-ECP     3     28
            f potential
              2
            2      6.5842120            -19.12219811
            2      3.2921060             -2.43637543
            s-f potential
              4
            2      7.4880494            135.15384412
            2      3.7440247             15.55244130
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            p-f potential
              4
            2      6.4453772             87.78499167
            2      3.2226886             11.56406599
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            d-f potential
              4
            2      4.6584472             29.70100072
            2      2.3292236              5.53996847
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            -ZR     0
            ZR-ECP     3     28
            f potential
              2
            2      7.5400000            -21.09377605
            2      3.7700000             -3.08069427
            s-f potential
              4
            2      8.2000000            150.26759106
            2      4.0897278             18.97621650
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            p-f potential
              4
            2      7.1100000             99.62212372
            2      3.5967980             14.16873329
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            d-f potential
              4
            2      5.3500000             35.04512355
            2      2.4918215              6.11125948
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            -NB     0
            NB-ECP     3     28
            f potential
              2
            2      8.4900000            -22.92954996
            2      4.2500000             -3.66630986
            s-f potential
              4
            2      8.9000000            165.17914349
            2      4.4300000             21.99297437
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            p-f potential
              4
            2      7.7700000            111.79441445
            2      3.9600000             16.63348326
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            d-f potential
              4
            2      6.0500000             38.11224880
            2      2.8400000              8.03916727
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            -MO     0
            MO-ECP     3     28
            f potential
              2
            2      9.4500000            -24.80517707
            2      4.7200000             -4.15378155
            s-f potential
              4
            2      9.7145938            180.10310850
            2      4.6805004             24.99722791
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            p-f potential
              4
            2      8.1421366            123.77275231
            2      4.6259863             19.53022800
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            d-f potential
              4
            2      6.6184148             48.37502229
            2      3.2487516              8.89205274
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            -TC     0
            TC-ECP     3     28
            f potential
              2
            2     10.4000000            -26.56244747
            2      5.2000000             -4.58568054
            s-f potential
              4
            2     10.4223462            195.15916591
            2      5.0365160             28.09260333
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            p-f potential
              4
            2      8.9504494            135.28456622
            2      4.8544394             21.80650430
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            d-f potential
              4
            2      6.9456968             54.32972942
            2      3.9705849             11.15506795
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            -RU     0
            RU-ECP     3     28
            f potential
              2
            2     11.3600000            -28.34061627
            2      5.6800000             -4.94462923
            s-f potential
              4
            2     11.1052693            209.82297122
            2      5.4147454             30.65472642
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            p-f potential
              4
            2      9.7712707            146.33618228
            2      5.0739908             24.12787723
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            d-f potential
              4
            2      7.6714231             67.51589667
            2      4.1365647              9.87010415
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            -RH     0
            RH-ECP     3     28
            f potential
              2
            2     12.3100000            -30.09345572
            2      6.1600000             -5.21848192
            s-f potential
              4
            2     11.7200000            225.34775353
            2      5.8200000             32.82318898
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            p-f potential
              4
            2     10.4200000            158.70941159
            2      5.4500000             26.44410049
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            d-f potential
              4
            2      8.8200000             62.75862572
            2      3.8700000             10.97871947
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            -PD     0
            PD-ECP     3     28
            f potential
              2
            2     13.2700000            -31.92955431
            2      6.6300000             -5.39821694
            s-f potential
              4
            2     12.4300000            240.22904033
            2      6.1707594             35.17194347
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            p-f potential
              4
            2     11.0800000            170.41727605
            2      5.8295541             28.47213287
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            d-f potential
              4
            2      9.5100000             69.01384488
            2      4.1397811             11.75086158
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            -AG     0
            AG-ECP     3     28
            f potential
              2
            2     14.2200000            -33.68992012
            2      7.1100000             -5.53112021
            s-f potential
              4
            2     13.1300000            255.13936452
            2      6.5100000             36.86612154
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            p-f potential
              4
            2     11.7400000            182.18186871
            2      6.2000000             30.35775148
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            d-f potential
              4
            2     10.2100000             73.71926087
            2      4.3800000             12.50211712
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            -CD     0
            CD-ECP     3     28
            f potential
              2
            2     15.1847957            -35.47662555
            2      7.5923978             -5.61767685
            s-f potential
              4
            2     13.8358689            270.00948324
            2      6.8572704             38.76730798
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            p-f potential
              4
            2     12.4049710            193.82962939
            2      6.5677995             31.89652523
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            d-f potential
              4
            2     10.8969253             79.19364700
            2      4.6411649             13.23082674
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            -IN     0
            IN-ECP     3     28
            f potential
              2
            2     12.53905600           -13.72807800
            2     12.55256100           -18.20686600
            s-f potential
              4
            2     15.39282200           281.12235000
            2      8.05586400            61.90147000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            p-f potential
              6
            2     13.92867200            67.46215400
            2     13.34723400           134.94925000
            2      7.61413200            14.74614000
            2      7.31836500            29.63926200
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            d-f potential
              6
            2     14.03471500            35.49325400
            2     14.51161600            53.17877300
            2      5.55055000             9.17728100
            2      5.05941500            12.39241000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            -SN     0
            SN-ECP     3     28
            f potential
              2
            2     12.28234800           -12.57633300
            2     12.27215000           -16.59594400
            s-f potential
              4
            2     17.42041400           279.98868200
            2      7.63115500            62.37781000
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            p-f potential
              6
            2     16.13102400            66.16252300
            2     15.62807700           132.17439600
            2      7.32560800            16.33941700
            2      6.94251900            32.48895900
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            d-f potential
              6
            2     15.51497600            36.38744100
            2     15.18816000            54.50784100
            2      5.45602400             8.69682300
            2      5.36310500            12.84020800
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            -SB     0
            SB-ECP     3     28
            f potential
              2
            2     14.44497800           -15.36680100
            2     14.44929500           -20.29613800
            s-f potential
              4
            2     16.33086500           281.07158100
            2      8.55654200            61.71660400
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            p-f potential
              6
            2     14.47033700            67.45738000
            2     13.81619400           134.93350300
            2      8.42492400            14.71634400
            2      8.09272800            29.51851200
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            d-f potential
              6
            2     14.88633100            35.44781500
            2     15.14631900            53.14346600
            2      5.90826700             9.17922300
            2      5.59432200            13.24025300
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            -TE     0
            TE-ECP     3     28
            f potential
              2
            2     15.20616800           -15.74545000
            2     15.20170200           -20.74244800
            s-f potential
              4
            2     16.81447300           281.04584300
            2      8.79352600            61.62065600
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            p-f potential
              6
            2     14.87780100            67.44946400
            2     14.26973100           134.90430400
            2      8.72443500            14.68954700
            2      8.29151500            29.41506300
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            d-f potential
              6
            2     15.20500800            35.43205700
            2     15.22584800            53.13568700
            2      6.07176900             9.06980200
            2      5.80476000            13.12230400
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            -I     0
            I-ECP     3     28
            f potential
              4
            2     19.45860900           -21.84204000
            2     19.34926000           -28.46819100
            2      4.82376700            -0.24371300
            2      4.88431500            -0.32080400
            s-f potential
              7
            2     40.01583500            49.99429300
            2     17.42974700           281.02531700
            2      9.00548400            61.57332600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            p-f potential
              8
            2     15.35546600            67.44284100
            2     14.97183300           134.88113700
            2      8.96016400            14.67505100
            2      8.25909600            29.37566600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            d-f potential
              10
            2     15.06890800            35.43952900
            2     14.55532200            53.17605700
            2      6.71864700             9.06719500
            2      6.45639300            13.20693700
            2      1.19177900             0.08933500
            2      1.29115700             0.05238000
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            -XE     0
            XE-ECP     3     28
            f potential
              4
            2     20.88155700           -23.08929500
            2     20.78344300           -30.07447500
            2      5.25338900            -0.28822700
            2      5.36118800            -0.38692400
            s-f potential
              7
            2     40.00518400            49.99796200
            2     17.81221400           281.01330300
            2      9.30415000            61.53825500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            p-f potential
              8
            2     15.70177200            67.43914200
            2     15.25860800           134.87471100
            2      9.29218400            14.66330000
            2      8.55900300            29.35473000
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            d-f potential
              10
            2     15.18560000            35.43690800
            2     14.28450000            53.19577200
            2      7.12188900             9.04623200
            2      6.99196300            13.22368100
            2      0.62394600             0.08485300
            2      0.64728400             0.04415500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            -CS     0
            CS-ECP     3     46
            f potential
              1
            2      3.1232690            -28.8843090
            s-f potential
              3
            2      4.0797500             84.5477300
            2      2.4174060             16.6541730
            2      3.1232690             28.8843090
            p-f potential
              3
            2      5.5140800            157.0490590
            2      2.1603160             26.4233070
            2      3.1232690             28.8843090
            d-f potential
              3
            2      1.8074100             13.1727530
            2      0.8581820              3.3428330
            2      3.1232690             28.8843090
            -BA     0
            BA-ECP     3     46
            f potential
              1
            2      3.5894650            -33.4731740
            s-f potential
              3
            2      9.5269860            427.8458160
            2      4.4875100            204.4175300
            2      3.5894650             33.4731740
            p-f potential
              3
            2      8.3159300            293.6058640
            2      4.2922170            294.1933160
            2      3.5894650             33.4731740
            d-f potential
              3
            2      5.9161080            112.5504020
            2      2.8748420            181.7826210
            2      3.5894650             33.4731740
            -LA     0
            LA-ECP     3     46
            f potential
              1
            2      4.0286000            -36.0100160
            s-f potential
              3
            2      3.3099000             91.9321770
            2      1.6550000             -3.7887640
            2      4.0286000             36.0100160
            p-f potential
              3
            2      2.8368000             63.7594860
            2      1.4184000             -0.6479580
            2      4.0286000             36.0100160
            d-f potential
              3
            2      2.0213000             36.1161730
            2      1.0107000              0.2191140
            2      4.0286000             36.0100160
            -HF     0
            HF-ECP     3     60
            f potential
              1
            2      1.78576984            10.04672251
            s-f potential
              3
            2     14.76995900          1499.28471073
            2      7.38497940            40.28210136
            2      1.78576984           -10.04672251
            p-f potential
              3
            2      9.84948950           397.73300533
            2      4.92474450            19.31640586
            2      1.78576984           -10.04672251
            d-f potential
              3
            2      6.09675640           101.32980526
            2      3.04837820             5.87343821
            2      1.78576984           -10.04672251
            -TA     0
            TA-ECP     3     60
            f potential
              1
            2      2.01788111            12.01796094
            s-f potential
              3
            2     14.54640770          1345.88064703
            2      7.27320380            36.76680620
            2      2.01788111           -12.01796094
            p-f potential
              3
            2      9.93556529           378.42530145
            2      4.96778243            22.29309086
            2      2.01788111           -12.01796094
            d-f potential
              3
            2      6.34737691           104.88395571
            2      3.17368846             8.75584805
            2      2.01788111           -12.01796094
            -W     0
            W-ECP     3     60
            f potential
              1
            2      2.25888846            14.15257947
            s-f potential
              3
            2     14.32285640          1192.39588226
            2      7.16142810            32.52293315
            2      2.25888846           -14.15257947
            p-f potential
              3
            2     10.02164110           359.03196711
            2      5.01082040            24.03038019
            2      2.25888846           -14.15257947
            d-f potential
              3
            2      6.59799743           108.30134897
            2      3.29899871            10.98252827
            2      2.25888846           -14.15257947
            -RE     0
            RE-ECP     3     60
            f potential
              1
            2      2.50865059            16.44985227
            s-f potential
              3
            2     14.09930510          1038.95157226
            2      7.04965250            29.56173830
            2      2.50865059           -16.44985227
            p-f potential
              3
            2     10.10771690           339.54350965
            2      5.05385830            24.91369646
            2      2.50865059           -16.44985227
            d-f potential
              3
            2      6.84861794           111.69965275
            2      3.42430897            12.62432927
            2      2.50865059           -16.44985227
            -OS     0
            OS-ECP     3     60
            f potential
              1
            2      2.76707510            18.90945701
            s-f potential
              3
            2     13.87575390           885.40571914
            2      6.93787690            25.96704014
            2      2.76707510           -18.90945701
            p-f potential
              3
            2     10.19379260           320.08390185
            2      5.09689620            26.14876493
            2      2.76707510           -18.90945701
            d-f potential
              3
            2      7.09923846           115.04484313
            2      3.54961923            13.62257457
            2      2.76707510           -18.90945701
            -IR     0
            IR-ECP     3     60
            f potential
              1
            2      3.03407192            21.53103107
            s-f potential
              3
            2     13.65220260           732.26919978
            2      6.82610130            26.48472087
            2      3.03407192           -21.53103107
            p-f potential
              3
            2     10.27986840           299.48947357
            2      5.13993410            26.46623354
            2      3.03407192           -21.53103107
            d-f potential
              3
            2      7.34985897           124.45759451
            2      3.67492949            14.03599518
            2      3.03407192           -21.53103107
            -PT     0
            PT-ECP     3     60
            f potential
              1
            2      3.30956857            24.31437573
            s-f potential
              3
            2     13.42865130           579.22386092
            2      6.71432560            29.66949062
            2      3.30956857           -24.31437573
            p-f potential
              3
            2     10.36594420           280.86077422
            2      5.18297210            26.74538204
            2      3.30956857           -24.31437573
            d-f potential
              3
            2      7.60047949           120.39644429
            2      3.80023974            15.81092058
            2      3.30956857           -24.31437573
            -AU     0
            AU-ECP     3     60
            f potential
              2
            2      4.78982000            30.49008890
            2      2.39491000             5.17107381
            s-f potential
              4
            2     13.20510000           426.84667920
            2      6.60255000            37.00708285
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            p-f potential
              4
            2     10.45202000           261.19958038
            2      5.22601000            26.96249604
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            d-f potential
              4
            2      7.85110000           124.79066561
            2      3.92555000            16.30072573
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            -HG     0
            HG-ECP     3     60
            f potential
              1
            2      3.88579112            30.36499643
            s-f potential
              3
            2     12.98154870           275.73721174
            2      6.49077440            49.08921249
            2      3.88579112           -30.36499643
            p-f potential
              3
            2     10.53809580           241.54007398
            2      5.26904790            27.39659081
            2      3.88579112           -30.36499643
            d-f potential
              3
            2      8.10172051           127.86700761
            2      4.05086026            16.60831151
            2      3.88579112           -30.36499643
            -TL     0
            TL-ECP     3     60
            f potential
              4
            2      5.62639900            15.82548800
            2      5.54895200            21.10402100
            2      2.87494600             2.91512700
            2      2.82145100             3.89690300
            s-f potential
              6
            2     12.16780500           281.28466300
            2      8.29490900            62.43425100
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            p-f potential
              8
            2      7.15149200             4.63340800
            2      5.17286500             9.34175600
            2      9.89107200            72.29925300
            2      9.00339100           144.55803700
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            d-f potential
              8
            2      7.13021800            35.94303900
            2      6.92690600            53.90959300
            2      5.41757000            10.38193900
            2      5.13868100            15.58382200
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            -PB     0
            PB-ECP     3     60
            f potential
              2
            2      3.88751200            12.20989200
            2      3.81196300            16.19029100
            s-f potential
              4
            2     12.29630300           281.28549900
            2      8.63263400            62.52021700
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            p-f potential
              6
            2     10.24179000            72.27689700
            2      8.92417600           144.59108300
            2      6.58134200             4.75869300
            2      6.25540300             9.94062100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            d-f potential
              6
            2      7.75433600            35.84850700
            2      7.72028100            53.72434200
            2      4.97026400            10.11525600
            2      4.56378900            14.83373100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            -BI     0
            BI-ECP     3     60
            f potential
              2
            2      4.21454600            13.71338300
            2      4.13340000            18.19430800
            s-f potential
              4
            2     13.04309000           283.26422700
            2      8.22168200            62.47195900
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            p-f potential
              6
            2     10.46777700            72.00149900
            2      9.11890100           144.00227700
            2      6.75479100             5.00794500
            2      6.25259200             9.99155000
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            d-f potential
              6
            2      8.08147400            36.39625900
            2      7.89059500            54.59766400
            2      4.95555600             9.98429400
            2      4.70455900            14.98148500
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            -PO     0
            PO-ECP     3     60
            f potential
              4
            2      5.01327000            17.42829500
            2      4.98464000            23.38035300
            2      1.32676000             0.16339200
            2      1.52875800             0.32456600
            s-f potential
              6
            2     13.27722700           283.24470600
            2      8.39951800            62.39646100
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            p-f potential
              8
            2     10.66568200            71.99171600
            2      9.28375300           143.97187100
            2      6.87274900             4.94961500
            2      6.32615000             9.74049900
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            d-f potential
              8
            2      8.21486600            36.37838300
            2      8.00869600            54.56271500
            2      5.05522700             9.88949900
            2      4.78255300            14.69387700
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            -AT     0
            AT-ECP     3     60
            f potential
              4
            2      5.81216300            19.87019800
            2      5.75371500            26.41645200
            2      2.51347200             0.99497000
            2      2.53626100             1.49070100
            s-f potential
              7
            2     30.20083200            49.95715800
            2     13.61230600           283.21037100
            2      8.52934000            62.28105200
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            p-f potential
              8
            2     10.85406500            71.98237100
            2      9.46822900           143.90353200
            2      7.03111400             4.87175900
            2      6.14385800             8.98305900
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            d-f potential
              8
            2      8.31351500            36.36323700
            2      7.99896500            54.54897000
            2      5.17996600             9.77628500
            2      4.94222600            14.26475500
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            -RN     0
            RN-ECP     3     60
            f potential
              4
            2      6.34857100            21.79729000
            2      6.29594900            28.94680500
            2      2.88211800             1.44736500
            2      2.90804800             2.17796400
            s-f potential
              7
            2     30.15124200            49.96555100
            2     14.52124100           283.07000000
            2      8.05203800            62.00287000
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            p-f potential
              8
            2     11.00994200            71.96911900
            2      9.61762500           143.86055900
            2      7.33600800             4.71476100
            2      6.40625300             9.01306500
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            d-f potential
              8
            2      8.36922000            36.36836500
            2      8.11697500            54.55176100
            2      5.35365600             9.63448700
            2      5.09721200            14.38790200
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/additions/08_d-glucose/Gau-24359.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/additions/08_d-glucose/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=     24364.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                27-Sep-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=48GB
 %chk=08_d-glucose_conformer021_wB97XD-def2SVPDr
 ----------------------------------------------------------------------
 #P wB97XD/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA
  Guess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-58,75=-5,116=-2/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Mon Sep 27 11:12:43 2021, MaxMem=  6442450944 cpu:               0.7 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "08_d-glucose_conformer021_wB97XD-def2SVPDr.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                -0.802701000000      1.185868000000     -0.155223000000
  C                                                -1.539114000000     -0.058168000000      0.301617000000
  C                                                 0.694862000000      1.030292000000      0.045515000000
  C                                                 1.190748000000     -0.254953000000     -0.615577000000
  O                                                 0.429294000000     -1.375454000000     -0.150440000000
  C                                                -0.958807000000     -1.274656000000     -0.405424000000
  O                                                -1.212443000000      2.340377000000      0.564498000000
  H                                                -0.996847000000      1.328656000000     -1.227279000000
  O                                                -2.912981000000      0.125709000000     -0.006195000000
  H                                                -1.394142000000     -0.197407000000      1.379285000000
  H                                                 0.904711000000      0.974487000000      1.119148000000
  O                                                 1.399422000000      2.110875000000     -0.544610000000
  C                                                 2.641121000000     -0.568017000000     -0.289807000000
  H                                                 1.084130000000     -0.152517000000     -1.704362000000
  O                                                -1.593558000000     -2.403373000000      0.110234000000
  H                                                -1.121572000000     -1.189787000000     -1.491375000000
  H                                                -2.171127000000      2.411548000000      0.483789000000
  H                                                -3.392257000000     -0.655851000000      0.292660000000
  H                                                 1.018230000000      2.925417000000     -0.195277000000
  O                                                 2.840914000000     -0.797107000000      1.093949000000
  H                                                 3.260544000000      0.283592000000     -0.566380000000
  H                                                 2.952873000000     -1.437215000000     -0.881027000000
  H                                                -1.324223000000     -3.177621000000     -0.397061000000
  H                                                 2.217854000000     -1.483716000000      1.361779000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1 -1
 NAtoms=     24 NQM=       24 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          16          12          16           1          16           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  15.9949146  12.0000000  15.9949146   1.0078250  15.9949146   1.0078250
 NucSpn=           0           0           0           0           0           0           0           1           0           1
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   5.6000000   3.6000000   5.6000000   1.0000000   5.6000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.7928460   0.0000000   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   8.0000000   6.0000000   8.0000000   1.0000000   8.0000000   1.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=           1          16          12           1          16           1           1           1           1          16
 AtmWgt=   1.0078250  15.9949146  12.0000000   1.0078250  15.9949146   1.0078250   1.0078250   1.0078250   1.0078250  15.9949146
 NucSpn=           1           0           0           1           0           1           1           1           1           0
 AtZEff=   1.0000000   5.6000000   3.6000000   1.0000000   5.6000000   1.0000000   1.0000000   1.0000000   1.0000000   5.6000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   0.0000000   0.0000000   2.7928460   0.0000000   2.7928460   2.7928460   2.7928460   2.7928460   0.0000000
 AtZNuc=   1.0000000   8.0000000   6.0000000   1.0000000   8.0000000   1.0000000   1.0000000   1.0000000   1.0000000   8.0000000

  Atom        21          22          23          24
 IAtWgt=           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.088559
 Leave Link  101 at Mon Sep 27 11:12:43 2021, MaxMem=  6442450944 cpu:               1.8 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -0.802701    1.185868   -0.155223
      2          6           0       -1.539114   -0.058168    0.301617
      3          6           0        0.694862    1.030292    0.045515
      4          6           0        1.190748   -0.254953   -0.615577
      5          8           0        0.429294   -1.375454   -0.150440
      6          6           0       -0.958807   -1.274656   -0.405424
      7          8           0       -1.212443    2.340377    0.564498
      8          1           0       -0.996847    1.328656   -1.227279
      9          8           0       -2.912981    0.125709   -0.006195
     10          1           0       -1.394142   -0.197407    1.379285
     11          1           0        0.904711    0.974487    1.119148
     12          8           0        1.399422    2.110875   -0.544610
     13          6           0        2.641121   -0.568017   -0.289807
     14          1           0        1.084130   -0.152517   -1.704362
     15          8           0       -1.593558   -2.403373    0.110234
     16          1           0       -1.121572   -1.189787   -1.491375
     17          1           0       -2.171127    2.411548    0.483789
     18          1           0       -3.392257   -0.655851    0.292660
     19          1           0        1.018230    2.925417   -0.195277
     20          8           0        2.840914   -0.797107    1.093949
     21          1           0        3.260544    0.283592   -0.566380
     22          1           0        2.952873   -1.437215   -0.881027
     23          1           0       -1.324223   -3.177621   -0.397061
     24          1           0        2.217854   -1.483716    1.361779
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.516124   0.000000
     3  C    1.518945   2.498196   0.000000
     4  C    2.502345   2.886540   1.528005   0.000000
     5  O    2.842218   2.411271   2.428279   1.432371   0.000000
     6  C    2.478134   1.522007   2.872412   2.388419   1.414921
     7  O    1.420837   2.434921   2.371387   3.728759   4.124783
     8  H    1.098811   2.134211   2.137967   2.769038   3.241245
     9  O    2.366311   1.419884   3.719876   4.166154   3.666756
    10  H    2.148946   1.096254   2.765886   3.265646   2.655706
    11  H    2.141018   2.776151   1.095371   2.145370   2.712950
    12  O    2.420043   3.749112   1.418560   2.376073   3.640193
    13  C    3.867058   4.252540   2.540661   1.519117   2.358719
    14  H    2.784104   3.303674   2.147705   1.098778   2.083041
    15  O    3.684912   2.353631   4.126877   3.590943   2.283966
    16  H    2.744215   2.160954   3.254261   2.643437   2.058583
    17  H    1.945049   2.555802   3.211518   4.429564   4.637437
    18  H    3.209101   1.947163   4.428171   4.689301   3.913875
    19  H    2.518616   3.960895   1.937536   3.212657   4.341238
    20  O    4.332269   4.512036   3.007348   2.437100   2.774689
    21  H    4.182477   4.889472   2.741295   2.139277   3.307781
    22  H    4.638070   4.845448   3.470689   2.138526   2.627931
    23  H    4.401194   3.203953   4.688188   3.861971   2.526549
    24  H    4.307171   4.155832   3.220604   2.544551   2.344669
                    6          7          8          9         10
     6  C    0.000000
     7  O    3.751472   0.000000
     8  H    2.730225   2.068943   0.000000
     9  O    2.437048   2.849960   2.570933   0.000000
    10  H    2.129593   2.671561   3.046455   2.081065   0.000000
    11  H    3.294793   2.579851   3.040901   4.069594   2.593402
    12  O    4.128249   2.846863   2.611515   4.777823   4.102869
    13  C    3.670448   4.902912   4.208448   5.604439   4.382530
    14  H    2.668338   4.078786   2.598451   4.351790   3.956353
    15  O    1.393849   4.780666   4.009120   2.854941   2.552752
    16  H    1.101356   4.086188   2.535322   2.673095   3.049558
    17  H    3.981020   0.964704   2.340800   2.452650   2.865705
    18  H    2.606131   3.715221   3.462148   0.964290   2.320213
    19  H    4.646875   2.428051   2.770417   4.829962   4.248625
    20  O    4.112670   5.153041   4.963404   5.930364   4.286812
    21  H    4.500774   5.051422   4.433320   6.200899   5.067847
    22  H    3.943839   5.805997   4.834276   6.133213   5.053976
    23  H    1.937750   5.602267   4.593797   3.686315   3.470154
    24  H    3.641138   5.198681   4.994693   5.548610   3.834242
                   11         12         13         14         15
    11  H    0.000000
    12  O    2.074658   0.000000
    13  C    2.716541   2.963647   0.000000
    14  H    3.045413   2.562689   2.144254   0.000000
    15  O    4.320786   5.455748   4.632609   3.940701   0.000000
    16  H    3.950283   4.259829   3.998528   2.446715   2.064149
    17  H    3.453926   3.727845   5.712617   4.686057   4.863804
    18  H    4.669584   5.596068   6.062065   4.927421   2.514444
    19  H    2.355149   0.964790   3.853154   3.428609   5.942287
    20  O    2.624512   3.635813   1.416750   3.366353   4.817917
    21  H    2.977967   2.608297   1.088768   2.494388   5.589266
    22  H    3.743257   3.887844   1.096465   2.412577   4.752483
    23  H    4.950458   5.950479   4.748209   4.081722   0.964028
    24  H    2.797495   4.150329   1.935303   3.529680   4.115701
                   16         17         18         19         20
    16  H    0.000000
    17  H    4.239393   0.000000
    18  H    2.936644   3.307057   0.000000
    19  H    4.815966   3.301089   5.702277   0.000000
    20  O    4.747567   5.982334   6.286051   4.340676   0.000000
    21  H    4.714807   5.927403   6.773497   3.484958   2.025017
    22  H    4.127329   6.552181   6.499904   4.821375   2.079135
    23  H    2.278174   5.721185   3.333437   6.540250   5.023776
    24  H    4.402119   5.933557   5.770764   4.827419   0.965074
                   21         22         23         24
    21  H    0.000000
    22  H    1.776187   0.000000
    23  H    5.747065   4.642929   0.000000
    24  H    2.815737   2.360634   4.302225   0.000000
 Stoichiometry    C6H12O6
 Framework group  C1[X(C6H12O6)]
 Deg. of freedom    66
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 5.89D-17
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -0.802701    1.185868   -0.155223
      2          6           0       -1.539114   -0.058168    0.301617
      3          6           0        0.694862    1.030292    0.045515
      4          6           0        1.190748   -0.254953   -0.615577
      5          8           0        0.429294   -1.375454   -0.150440
      6          6           0       -0.958807   -1.274656   -0.405424
      7          8           0       -1.212443    2.340377    0.564498
      8          1           0       -0.996847    1.328656   -1.227279
      9          8           0       -2.912981    0.125709   -0.006195
     10          1           0       -1.394142   -0.197407    1.379285
     11          1           0        0.904711    0.974487    1.119148
     12          8           0        1.399422    2.110875   -0.544610
     13          6           0        2.641121   -0.568017   -0.289807
     14          1           0        1.084130   -0.152517   -1.704362
     15          8           0       -1.593558   -2.403373    0.110234
     16          1           0       -1.121572   -1.189787   -1.491375
     17          1           0       -2.171127    2.411548    0.483789
     18          1           0       -3.392257   -0.655851    0.292660
     19          1           0        1.018230    2.925417   -0.195277
     20          8           0        2.840914   -0.797107    1.093949
     21          1           0        3.260544    0.283592   -0.566380
     22          1           0        2.952873   -1.437215   -0.881027
     23          1           0       -1.324223   -3.177621   -0.397061
     24          1           0        2.217854   -1.483716    1.361779
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           1.1719254           0.8169867           0.5340835
 Leave Link  202 at Mon Sep 27 11:12:44 2021, MaxMem=  6442450944 cpu:               0.1 elap:               0.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:       8     10     11     14     16     17     18     19     21     22
 Centers:      23     24
 S 3 1.00
     Exponent=  1.3010701000D+01 Coefficients=  1.9682158000D-02
     Exponent=  1.9622572000D+00 Coefficients=  1.3796524000D-01
     Exponent=  4.4453796000D-01 Coefficients=  4.7831935000D-01
 S 1 1.00
     Exponent=  1.2194962000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.1704099050D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      6     13
 S 5 1.00
     Exponent=  1.2384016938D+03 Coefficients=  5.4568832082D-03
     Exponent=  1.8629004992D+02 Coefficients=  4.0638409211D-02
     Exponent=  4.2251176346D+01 Coefficients=  1.8025593888D-01
     Exponent=  1.1676557932D+01 Coefficients=  4.6315121755D-01
     Exponent=  3.5930506482D+00 Coefficients=  4.4087173314D-01
 S 1 1.00
     Exponent=  4.0245147363D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.3090182668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  6.7053540256D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  9.4680970621D+00 Coefficients=  3.8387871728D-02
     Exponent=  2.0103545142D+00 Coefficients=  2.1117025112D-01
     Exponent=  5.4771004707D-01 Coefficients=  5.1328172114D-01
 P 1 1.00
     Exponent=  1.5268613795D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1713185140D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       5      7      9     12     15     20
 S 5 1.00
     Exponent=  2.2661767785D+03 Coefficients= -5.3431809926D-03
     Exponent=  3.4087010191D+02 Coefficients= -3.9890039230D-02
     Exponent=  7.7363135167D+01 Coefficients= -1.7853911985D-01
     Exponent=  2.1479644940D+01 Coefficients= -4.6427684959D-01
     Exponent=  6.6589433124D+00 Coefficients= -4.4309745172D-01
 S 1 1.00
     Exponent=  8.0975975668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.5530772234D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.6572453250D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  1.7721504317D+01 Coefficients=  4.3394573193D-02
     Exponent=  3.8635505440D+00 Coefficients=  2.3094120765D-01
     Exponent=  1.0480920883D+00 Coefficients=  5.1375311064D-01
 P 1 1.00
     Exponent=  2.7641544411D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.9002276350D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.2000000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.7992024323D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 There are   378 symmetry adapted cartesian basis functions of A   symmetry.
 There are   354 symmetry adapted basis functions of A   symmetry.
   354 basis functions,   522 primitive gaussians,   378 cartesian basis functions
    48 alpha electrons       48 beta electrons
       nuclear repulsion energy       832.2526422312 Hartrees.
 IExCor= 4639 DFT=T Ex+Corr=wB97XD ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=121
 HFx  wShort=  0.000000 wLong=  0.200000 cFull=  0.222036 cShort=  0.000000 cLong=  0.777964
 DFx  wShort=  0.000000 wLong=  0.200000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   24 NActive=   24 NUniq=   24 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 R6Disp:  Grimme-D2 Dispersion energy=       -0.0165564702 Hartrees.
 Nuclear repulsion after empirical dispersion term =      832.2360857610 Hartrees.
 Leave Link  301 at Mon Sep 27 11:12:45 2021, MaxMem=  6442450944 cpu:               5.9 elap:               0.8
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   354 RedAO= T EigKep=  2.45D-05  NBF=   354
 NBsUse=   354 1.00D-06 EigRej= -1.00D+00 NBFU=   354
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   377   377   377   377   377 MxSgAt=    24 MxSgA2=    24.
 Leave Link  302 at Mon Sep 27 11:12:45 2021, MaxMem=  6442450944 cpu:               4.1 elap:               0.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Mon Sep 27 11:12:46 2021, MaxMem=  6442450944 cpu:               0.9 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "08_d-glucose_conformer021_wB97XD-def2SVPDr.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=    -0.000000   -0.000000   -0.000000
         Rot=    1.000000    0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Mon Sep 27 11:12:47 2021, MaxMem=  6442450944 cpu:               4.3 elap:               0.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  6442450944 LenX=  6442158464 LenY=  6442015139
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -686.521566731003    
 DIIS: error= 3.17D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -686.521566731003     IErMin= 1 ErrMin= 3.17D-03
 ErrMax= 3.17D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.29D-02 BMatP= 2.29D-02
 IDIUse=3 WtCom= 9.68D-01 WtEn= 3.17D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.450 Goal=   None    Shift=    0.000
 GapD=    0.450 DampG=2.000 DampE=1.000 DampFc=2.0000 IDamp=-1.
 RMSDP=5.16D-03 MaxDP=2.05D-01              OVMax= 1.43D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  5.16D-03    CP:  1.00D+00
 E= -686.539948538950     Delta-E=       -0.018381807947 Rises=F Damp=F
 DIIS: error= 8.88D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -686.539948538950     IErMin= 2 ErrMin= 8.88D-04
 ErrMax= 8.88D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.23D-03 BMatP= 2.29D-02
 IDIUse=3 WtCom= 9.91D-01 WtEn= 8.88D-03
 Coeff-Com:  0.383D-01 0.962D+00
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:      0.380D-01 0.962D+00
 Gap=     0.431 Goal=   None    Shift=    0.000
 RMSDP=7.22D-04 MaxDP=2.97D-02 DE=-1.84D-02 OVMax= 7.80D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  4.80D-04    CP:  1.00D+00  1.10D+00
 E= -686.540602876899     Delta-E=       -0.000654337950 Rises=F Damp=F
 DIIS: error= 6.79D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -686.540602876899     IErMin= 3 ErrMin= 6.79D-04
 ErrMax= 6.79D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.09D-03 BMatP= 1.23D-03
 IDIUse=3 WtCom= 9.93D-01 WtEn= 6.79D-03
 Coeff-Com: -0.505D-01 0.488D+00 0.562D+00
 Coeff-En:   0.000D+00 0.262D+00 0.738D+00
 Coeff:     -0.502D-01 0.487D+00 0.564D+00
 Gap=     0.426 Goal=   None    Shift=    0.000
 RMSDP=1.84D-04 MaxDP=8.62D-03 DE=-6.54D-04 OVMax= 3.22D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  1.32D-04    CP:  1.00D+00  1.13D+00  1.10D+00
 E= -686.541341391031     Delta-E=       -0.000738514131 Rises=F Damp=F
 DIIS: error= 9.33D-05 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -686.541341391031     IErMin= 4 ErrMin= 9.33D-05
 ErrMax= 9.33D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.66D-05 BMatP= 1.09D-03
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.153D-01 0.858D-01 0.142D+00 0.788D+00
 Coeff:     -0.153D-01 0.858D-01 0.142D+00 0.788D+00
 Gap=     0.426 Goal=   None    Shift=    0.000
 RMSDP=7.31D-05 MaxDP=3.05D-03 DE=-7.39D-04 OVMax= 7.39D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  4.84D-05    CP:  9.99D-01  1.13D+00  1.20D+00  1.07D+00
 E= -686.541358869477     Delta-E=       -0.000017478446 Rises=F Damp=F
 DIIS: error= 4.62D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -686.541358869477     IErMin= 5 ErrMin= 4.62D-05
 ErrMax= 4.62D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.25D-06 BMatP= 1.66D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.293D-02-0.477D-01-0.459D-01 0.279D+00 0.811D+00
 Coeff:      0.293D-02-0.477D-01-0.459D-01 0.279D+00 0.811D+00
 Gap=     0.426 Goal=   None    Shift=    0.000
 RMSDP=2.92D-05 MaxDP=1.18D-03 DE=-1.75D-05 OVMax= 3.92D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  1.76D-05    CP:  9.99D-01  1.13D+00  1.24D+00  1.15D+00  1.00D+00
 E= -686.541362928601     Delta-E=       -0.000004059124 Rises=F Damp=F
 DIIS: error= 6.93D-06 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -686.541362928601     IErMin= 6 ErrMin= 6.93D-06
 ErrMax= 6.93D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.62D-08 BMatP= 3.25D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.104D-02-0.111D-01-0.121D-01 0.166D-01 0.139D+00 0.867D+00
 Coeff:      0.104D-02-0.111D-01-0.121D-01 0.166D-01 0.139D+00 0.867D+00
 Gap=     0.426 Goal=   None    Shift=    0.000
 RMSDP=5.37D-06 MaxDP=2.86D-04 DE=-4.06D-06 OVMax= 8.25D-05

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  3.53D-06    CP:  9.99D-01  1.13D+00  1.24D+00  1.16D+00  1.04D+00
                    CP:  1.10D+00
 E= -686.541363052445     Delta-E=       -0.000000123844 Rises=F Damp=F
 DIIS: error= 3.35D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -686.541363052445     IErMin= 7 ErrMin= 3.35D-06
 ErrMax= 3.35D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.71D-08 BMatP= 7.62D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.243D-04 0.167D-02 0.147D-02-0.274D-01-0.449D-01 0.285D+00
 Coeff-Com:  0.784D+00
 Coeff:      0.243D-04 0.167D-02 0.147D-02-0.274D-01-0.449D-01 0.285D+00
 Coeff:      0.784D+00
 Gap=     0.426 Goal=   None    Shift=    0.000
 RMSDP=1.86D-06 MaxDP=1.19D-04 DE=-1.24D-07 OVMax= 3.60D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  9.73D-07    CP:  9.99D-01  1.13D+00  1.24D+00  1.16D+00  1.06D+00
                    CP:  1.16D+00  1.11D+00
 E= -686.541363072924     Delta-E=       -0.000000020479 Rises=F Damp=F
 DIIS: error= 1.69D-06 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -686.541363072924     IErMin= 8 ErrMin= 1.69D-06
 ErrMax= 1.69D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.58D-09 BMatP= 1.71D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.112D-03 0.204D-02 0.215D-02-0.143D-01-0.357D-01 0.153D-01
 Coeff-Com:  0.322D+00 0.709D+00
 Coeff:     -0.112D-03 0.204D-02 0.215D-02-0.143D-01-0.357D-01 0.153D-01
 Coeff:      0.322D+00 0.709D+00
 Gap=     0.426 Goal=   None    Shift=    0.000
 RMSDP=5.65D-07 MaxDP=3.01D-05 DE=-2.05D-08 OVMax= 1.07D-05

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  3.36D-07    CP:  9.99D-01  1.13D+00  1.24D+00  1.16D+00  1.06D+00
                    CP:  1.18D+00  1.15D+00  1.18D+00
 E= -686.541363075438     Delta-E=       -0.000000002514 Rises=F Damp=F
 DIIS: error= 2.57D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -686.541363075438     IErMin= 9 ErrMin= 2.57D-07
 ErrMax= 2.57D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.29D-10 BMatP= 2.58D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.350D-04 0.479D-03 0.533D-03-0.220D-02-0.681D-02-0.177D-01
 Coeff-Com:  0.307D-01 0.208D+00 0.787D+00
 Coeff:     -0.350D-04 0.479D-03 0.533D-03-0.220D-02-0.681D-02-0.177D-01
 Coeff:      0.307D-01 0.208D+00 0.787D+00
 Gap=     0.426 Goal=   None    Shift=    0.000
 RMSDP=1.70D-07 MaxDP=6.97D-06 DE=-2.51D-09 OVMax= 2.73D-06

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  9.33D-08    CP:  9.99D-01  1.13D+00  1.24D+00  1.16D+00  1.06D+00
                    CP:  1.18D+00  1.17D+00  1.25D+00  1.09D+00
 E= -686.541363075560     Delta-E=       -0.000000000122 Rises=F Damp=F
 DIIS: error= 7.15D-08 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -686.541363075560     IErMin=10 ErrMin= 7.15D-08
 ErrMax= 7.15D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.05D-11 BMatP= 1.29D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.404D-06-0.557D-04-0.554D-04 0.734D-03 0.153D-02-0.620D-02
 Coeff-Com: -0.222D-01-0.105D-01 0.213D+00 0.824D+00
 Coeff:      0.404D-06-0.557D-04-0.554D-04 0.734D-03 0.153D-02-0.620D-02
 Coeff:     -0.222D-01-0.105D-01 0.213D+00 0.824D+00
 Gap=     0.426 Goal=   None    Shift=    0.000
 RMSDP=6.13D-08 MaxDP=2.78D-06 DE=-1.22D-10 OVMax= 1.08D-06

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  3.26D-08    CP:  9.99D-01  1.13D+00  1.24D+00  1.16D+00  1.06D+00
                    CP:  1.18D+00  1.18D+00  1.28D+00  1.15D+00  1.10D+00
 E= -686.541363075612     Delta-E=       -0.000000000052 Rises=F Damp=F
 DIIS: error= 1.63D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -686.541363075612     IErMin=11 ErrMin= 1.63D-08
 ErrMax= 1.63D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.24D-13 BMatP= 1.05D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.248D-05-0.459D-04-0.511D-04 0.330D-03 0.853D-03-0.332D-03
 Coeff-Com: -0.708D-02-0.156D-01-0.580D-02 0.183D+00 0.844D+00
 Coeff:      0.248D-05-0.459D-04-0.511D-04 0.330D-03 0.853D-03-0.332D-03
 Coeff:     -0.708D-02-0.156D-01-0.580D-02 0.183D+00 0.844D+00
 Gap=     0.426 Goal=   None    Shift=    0.000
 RMSDP=1.66D-08 MaxDP=7.30D-07 DE=-5.18D-11 OVMax= 2.73D-07

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  8.86D-09    CP:  9.99D-01  1.13D+00  1.24D+00  1.15D+00  1.06D+00
                    CP:  1.18D+00  1.18D+00  1.29D+00  1.17D+00  1.17D+00
                    CP:  1.12D+00
 E= -686.541363075592     Delta-E=        0.000000000020 Rises=F Damp=F
 DIIS: error= 6.57D-09 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=11 EnMin= -686.541363075612     IErMin=12 ErrMin= 6.57D-09
 ErrMax= 6.57D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.70D-14 BMatP= 6.24D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.578D-06-0.733D-05-0.889D-05 0.290D-04 0.103D-03 0.335D-03
 Coeff-Com: -0.618D-04-0.288D-02-0.185D-01-0.180D-01 0.232D+00 0.807D+00
 Coeff:      0.578D-06-0.733D-05-0.889D-05 0.290D-04 0.103D-03 0.335D-03
 Coeff:     -0.618D-04-0.288D-02-0.185D-01-0.180D-01 0.232D+00 0.807D+00
 Gap=     0.426 Goal=   None    Shift=    0.000
 RMSDP=4.04D-09 MaxDP=1.94D-07 DE= 2.02D-11 OVMax= 9.90D-08

 SCF Done:  E(RwB97XD) =  -686.541363076     A.U. after   12 cycles
            NFock= 12  Conv=0.40D-08     -V/T= 2.0095
 KE= 6.800713935950D+02 PE=-3.272955843918D+03 EE= 1.074107001486D+03
 Leave Link  502 at Mon Sep 27 11:16:11 2021, MaxMem=  6442450944 cpu:            1627.2 elap:             203.8
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   354
 NBasis=   354 NAE=    48 NBE=    48 NFC=     0 NFV=     0
 NROrb=    354 NOA=    48 NOB=    48 NVA=   306 NVB=   306

 **** Warning!!: The largest alpha MO coefficient is  0.46309653D+02

 Leave Link  801 at Mon Sep 27 11:16:12 2021, MaxMem=  6442450944 cpu:               0.6 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         7279 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    6442450944 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.088559
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          24
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 2.45D-13 8.33D-09 XBig12= 1.00D+00 1.28D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 2.45D-13 8.33D-09 XBig12= 1.44D-01 4.38D-02.
     11 vectors produced by pass  2 Test12= 2.45D-13 8.33D-09 XBig12= 2.97D-02 2.25D-02.
     11 vectors produced by pass  3 Test12= 2.45D-13 8.33D-09 XBig12= 3.60D-03 9.49D-03.
     11 vectors produced by pass  4 Test12= 2.45D-13 8.33D-09 XBig12= 4.49D-04 2.82D-03.
     11 vectors produced by pass  5 Test12= 2.45D-13 8.33D-09 XBig12= 4.52D-05 1.03D-03.
     11 vectors produced by pass  6 Test12= 2.45D-13 8.33D-09 XBig12= 1.69D-06 1.84D-04.
     11 vectors produced by pass  7 Test12= 2.45D-13 8.33D-09 XBig12= 6.53D-08 3.24D-05.
     11 vectors produced by pass  8 Test12= 2.45D-13 8.33D-09 XBig12= 2.02D-09 3.74D-06.
     11 vectors produced by pass  9 Test12= 2.45D-13 8.33D-09 XBig12= 7.74D-11 1.03D-06.
      8 vectors produced by pass 10 Test12= 2.45D-13 8.33D-09 XBig12= 1.68D-12 1.55D-07.
      1 vectors produced by pass 11 Test12= 2.45D-13 8.33D-09 XBig12= 3.51D-14 2.44D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 2.84D-14
 Solved reduced A of dimension   119 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.088559:
                1             2             3 
      1  0.107850D+03
      2  0.113910D+01  0.101301D+03
      3 -0.175817D+01  0.776105D-01  0.851724D+02
 Isotropic polarizability for W=    0.088559       98.11 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.088559:
                 1             2             3 
      1   0.186581D+02 -0.129537D+02  0.113738D+02
      2  -0.214115D+02  0.113539D+02  0.867230D+01
      3   0.275337D+01  0.159972D+01 -0.200461D+02
      4  -0.132093D+02 -0.887846D+01 -0.107675D+02
      5  -0.857874D+01 -0.988872D+01  0.278483D+02
      6  -0.764828D+01 -0.999778D+01 -0.464148D+01
 Dipole-magnetic dipole polarizability for W=    0.088559:
                 1             2             3 
      1   0.187500D+01 -0.865664D+01 -0.119752D+01
      2   0.114046D+02 -0.352110D+01  0.138749D+02
      3   0.258115D+01 -0.754200D+01  0.179732D+01
 DQ contribution to OR G for W=    0.088559:
                 1             2             3 
      1   0.878805D+00 -0.186701D+02  0.624121D+01
      2   0.199525D+02 -0.311925D+01  0.250950D+02
      3  -0.255680D+00 -0.125330D+02  0.224045D+01
 Optical Rotation G' tensor for W=    0.088559:
                 1             2             3 
      1  -0.642191D+00 -0.526682D+00  0.402284D+00
      2  -0.526682D+00  0.105635D+01 -0.129739D-01
      3   0.402284D+00 -0.129739D-01 -0.262939D+00
 OR G Eigenvalues:    -0.9949    -0.0710     1.2171  Iso=    -0.0504
 Eigenvectors:
   (1)   0.857079   0.217110  -0.467203
   (2)   0.426579   0.209419   0.879872
   (3)  -0.288870   0.953418  -0.086874
 w=    0.088559 a.u., Optical Rotation Beta=     -0.0504 au.
 Molar Mass =    180.1572 grams/mole, [Alpha] ( 5145.0 A) =      -14.19 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   62835 ScalPx= 3.81D+01
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   62835 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 7.62D+02
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 4.08D-14 2.78D-09 XBig12= 1.00D+00 2.88D-01.
     30 vectors produced by pass  1 Test12= 4.08D-14 2.78D-09 XBig12= 6.69D-02 2.72D-02.
     30 vectors produced by pass  2 Test12= 4.08D-14 2.78D-09 XBig12= 3.63D-03 6.84D-03.
     30 vectors produced by pass  3 Test12= 4.08D-14 2.78D-09 XBig12= 6.34D-05 8.99D-04.
     30 vectors produced by pass  4 Test12= 4.08D-14 2.78D-09 XBig12= 1.56D-06 1.21D-04.
     30 vectors produced by pass  5 Test12= 4.08D-14 2.78D-09 XBig12= 1.79D-08 1.28D-05.
     30 vectors produced by pass  6 Test12= 4.08D-14 2.78D-09 XBig12= 1.63D-10 1.21D-06.
     30 vectors produced by pass  7 Test12= 4.08D-14 2.78D-09 XBig12= 1.21D-12 9.98D-08.
     13 vectors produced by pass  8 Test12= 4.08D-14 2.78D-09 XBig12= 1.08D-14 8.97D-09.
      5 vectors produced by pass  9 Test12= 4.08D-14 2.78D-09 XBig12= 5.59D-15 5.69D-09.
      5 vectors produced by pass 10 Test12= 4.08D-14 2.78D-09 XBig12= 7.46D-15 5.84D-09.
      4 vectors produced by pass 11 Test12= 4.08D-14 2.78D-09 XBig12= 4.87D-15 5.48D-09.
      4 vectors produced by pass 12 Test12= 4.08D-14 2.78D-09 XBig12= 2.95D-15 4.21D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 2.55D-15
 Solved reduced A of dimension   271 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   62835 ScalPx= 1.24D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   62835 ScalPx= 1.24D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   62835 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 8.38D+02
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.107850D+03  0.113910D+01 -0.175817D+01
      2   0.113910D+01  0.101301D+03  0.776105D-01
      3  -0.175817D+01  0.776105D-01  0.851724D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1   0.187500D+01 -0.865664D+01 -0.119752D+01
      2   0.114046D+02 -0.352110D+01  0.138749D+02
      3   0.258115D+01 -0.754200D+01  0.179732D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.186581D+02 -0.129537D+02  0.113738D+02
      2  -0.214115D+02  0.113539D+02  0.867230D+01
      3   0.275337D+01  0.159972D+01 -0.200461D+02
      4  -0.132093D+02 -0.887846D+01 -0.107675D+02
      5  -0.857874D+01 -0.988872D+01  0.278483D+02
      6  -0.764828D+01 -0.999778D+01 -0.464148D+01
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    72 ND12= 1 LenFil=    2595:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.356432D+01  0.532887D+00  0.849647D-01 -0.339880D+00  0.259477D+01
      2   0.532887D+00  0.318725D+01  0.173975D+00  0.259477D+01 -0.148282D+01
      3   0.849647D-01  0.173975D+00  0.108856D+01  0.498234D+00 -0.145875D+01
                 6             7             8             9            10 
      1   0.498234D+00 -0.365951D+00  0.482982D+00  0.129782D+01  0.458823D+01
      2  -0.145875D+01  0.482982D+00 -0.261218D+01 -0.127715D+01 -0.698675D+00
      3  -0.535093D+00  0.129782D+01 -0.127715D+01  0.734140D+01  0.161301D+00
                11            12            13            14            15 
      1  -0.698675D+00  0.161301D+00 -0.949127D+00 -0.267607D+01 -0.244858D+00
      2  -0.229118D+01 -0.780949D-01 -0.267607D+01 -0.415798D+00  0.914751D+00
      3  -0.780949D-01 -0.225713D+01 -0.244858D+00  0.914751D+00  0.156388D+01
                16            17            18            19            20 
      1   0.109259D+01 -0.353305D+00 -0.152844D+01  0.289480D+01 -0.494947D+00
      2  -0.353305D+00  0.155457D+01  0.973360D+00 -0.494947D+00 -0.291706D+01
      3  -0.152844D+01  0.973360D+00 -0.695429D+01  0.103021D+00  0.428862D+00
                21            22            23            24            25 
      1   0.103021D+00 -0.882378D+00 -0.341318D+01  0.170954D+00  0.703268D+00
      2   0.428862D+00 -0.341318D+01  0.795204D+00  0.153539D+01  0.586256D+00
      3  -0.101292D+01  0.170954D+00  0.153539D+01  0.129515D+01 -0.143417D+01
                26            27            28            29            30 
      1   0.586256D+00 -0.143417D+01 -0.166281D+01  0.204509D+01 -0.718798D+00
      2   0.224363D+01  0.100109D+01  0.204509D+01  0.257902D+01 -0.893964D-01
      3   0.100109D+01 -0.678029D+01 -0.718798D+00 -0.893964D-01  0.413280D+00
                31            32            33            34            35 
      1   0.248492D+01  0.353851D+01  0.735688D+00 -0.203554D+01  0.401296D+00
      2   0.353851D+01 -0.105950D+01 -0.168979D+01  0.401296D+00 -0.214499D+01
      3   0.735688D+00 -0.168979D+01 -0.168695D+01  0.342539D+00 -0.661218D+00
                36            37            38            39            40 
      1   0.342539D+00  0.507982D+01 -0.157669D+01 -0.129008D+00 -0.332536D+01
      2  -0.661218D+00 -0.157669D+01 -0.993164D-02 -0.309649D+00 -0.100069D+01
      3   0.677956D+01 -0.129008D+00 -0.309649D+00 -0.396186D+00 -0.246814D+00
                41            42            43            44            45 
      1  -0.100069D+01 -0.246814D+00  0.226118D+01  0.498613D+00  0.202450D+00
      2  -0.369783D+01  0.723755D+00  0.498613D+00  0.143224D+01 -0.442850D+00
      3   0.723755D+00  0.700114D+00  0.202450D+00 -0.442850D+00 -0.721228D+00
                46            47            48            49            50 
      1  -0.466554D+01 -0.712303D+00  0.126382D+00  0.124929D+01  0.250395D+01
      2  -0.712303D+00  0.984535D+00  0.494230D+00  0.250395D+01 -0.940823D+00
      3   0.126382D+00  0.494230D+00  0.148269D+01 -0.122443D+00 -0.107664D+01
                51            52            53            54            55 
      1  -0.122443D+00 -0.948311D+00 -0.101764D+00  0.158963D+01  0.507859D+01
      2  -0.107664D+01 -0.101764D+00 -0.183582D+01 -0.882941D+00 -0.137222D+00
      3  -0.198855D+01  0.158963D+01 -0.882941D+00  0.687588D+01  0.427694D+00
                56            57            58            59            60 
      1  -0.137222D+00  0.427694D+00  0.874652D+00 -0.139406D+01 -0.362980D+00
      2   0.591562D+00  0.269826D+00 -0.139406D+01  0.674001D+01  0.179666D+01
      3   0.269826D+00  0.502974D+00 -0.362980D+00  0.179666D+01  0.307850D+00
                61            62            63            64            65 
      1   0.135168D+01 -0.846691D+00 -0.641137D+00 -0.164101D+00  0.605147D-01
      2  -0.846691D+00  0.295691D+01  0.186326D+01  0.605147D-01 -0.861986D+00
      3  -0.641137D+00  0.186326D+01  0.761976D+00 -0.113091D+01  0.136323D+00
                66            67            68            69            70 
      1  -0.113091D+01  0.237948D+00 -0.710580D+00  0.105107D+00 -0.196797D+01
      2   0.136323D+00 -0.710580D+00  0.782040D+00 -0.103161D+01  0.315775D+00
      3  -0.819966D+00  0.105107D+00 -0.103161D+01  0.648071D+00 -0.964692D+00
                71            72            73            74            75 
      1   0.315775D+00 -0.964692D+00 -0.670195D+01  0.224532D+01 -0.259377D+00
      2  -0.181127D+01  0.990453D+00  0.224532D+01  0.857059D+00 -0.498934D+00
      3   0.990453D+00 -0.697044D+01 -0.259377D+00 -0.498934D+00  0.631731D+00
                76            77            78            79            80 
      1   0.505676D+01  0.563100D+00 -0.621479D+00 -0.254347D+01 -0.613605D+00
      2   0.563100D+00  0.358041D+01 -0.922692D+00 -0.613605D+00 -0.136270D+01
      3  -0.621479D+00 -0.922692D+00  0.633846D+00 -0.779937D+00  0.413644D+00
                81            82            83            84            85 
      1  -0.779937D+00 -0.116684D-01  0.158040D-01  0.112177D+01 -0.145032D+00
      2   0.413644D+00  0.158040D-01  0.576865D+00 -0.212546D-01  0.565131D+00
      3  -0.625166D-01  0.112177D+01 -0.212546D-01  0.785607D+00 -0.189871D-01
                86            87            88            89            90 
      1   0.565131D+00 -0.189871D-01  0.194144D+01  0.111827D+00  0.641600D-01
      2  -0.485277D+00  0.874390D+00  0.111827D+00  0.151704D+01 -0.628758D+00
      3   0.874390D+00 -0.871010D+00  0.641600D-01 -0.628758D+00  0.737197D+01
                91            92            93            94            95 
      1   0.365388D+00 -0.954809D-01  0.110945D+01  0.484314D-01  0.856656D+00
      2  -0.954809D-01  0.906424D+00  0.494791D-01  0.856656D+00 -0.289993D+00
      3   0.110945D+01  0.494791D-01  0.705648D+00  0.529435D-01  0.836484D+00
                96            97            98            99           100 
      1   0.529435D-01  0.209363D+01 -0.151348D+00  0.112027D+01  0.390696D+01
      2   0.836484D+00 -0.151348D+00  0.167940D+01  0.359968D-03  0.190787D+01
      3  -0.145308D+00  0.112027D+01  0.359968D-03  0.656334D+01 -0.116104D+01
               101           102           103           104           105 
      1   0.190787D+01 -0.116104D+01  0.874058D+00  0.341112D+01 -0.600958D-01
      2   0.430445D+01 -0.854450D-01  0.341112D+01 -0.670122D+00 -0.175898D+01
      3  -0.854450D-01  0.674587D+00 -0.600958D-01 -0.175898D+01 -0.742352D+00
               106           107           108           109           110 
      1  -0.168569D+01 -0.681091D+00  0.139954D+01  0.253042D+01 -0.208530D+01
      2  -0.681091D+00 -0.362785D+01  0.707301D+00 -0.208530D+01 -0.235681D+01
      3   0.139954D+01  0.707301D+00 -0.660358D+00  0.149085D+01 -0.194940D+00
               111           112           113           114           115 
      1   0.149085D+01 -0.173921D+01 -0.389339D+01 -0.550374D+00  0.267517D+01
      2  -0.194940D+00 -0.389339D+01  0.880672D+00  0.348806D+01 -0.756810D+00
      3  -0.872905D+00 -0.550374D+00  0.348806D+01  0.195651D+01 -0.299011D+01
               116           117           118           119           120 
      1  -0.756810D+00 -0.299011D+01  0.370785D+00 -0.146622D+00 -0.133968D+01
      2   0.351293D+01  0.247107D+01 -0.146622D+00 -0.430083D+00  0.579126D-01
      3   0.247107D+01 -0.929421D+00 -0.133968D+01  0.579126D-01 -0.286214D+00
               121           122           123           124           125 
      1  -0.905882D-01 -0.383406D+00 -0.210419D+00 -0.197015D+01 -0.247198D+00
      2  -0.383406D+00  0.624443D+00 -0.102548D+01 -0.247198D+00 -0.139078D+01
      3  -0.210419D+00 -0.102548D+01  0.596431D+00  0.499429D+00  0.339960D+00
               126           127           128           129           130 
      1   0.499429D+00 -0.257481D+01 -0.183391D+01  0.893446D+00 -0.148734D+01
      2   0.339960D+00 -0.183391D+01 -0.338313D+01 -0.228556D+00 -0.239471D+01
      3  -0.818993D+01  0.893446D+00 -0.228556D+00 -0.422228D+00 -0.908989D-01
               131           132           133           134           135 
      1  -0.239471D+01 -0.908989D-01  0.191833D+01  0.616093D+00 -0.110972D+01
      2   0.180676D+01  0.237330D+01  0.616093D+00  0.512597D+01 -0.773199D-01
      3   0.237330D+01  0.995971D+00 -0.110972D+01 -0.773199D-01  0.116848D+01
               136           137           138           139           140 
      1  -0.529617D+00 -0.615149D-01 -0.134621D+01  0.159360D-01 -0.595521D+00
      2  -0.615149D-01 -0.382768D+00 -0.293362D+00 -0.595521D+00  0.160028D+00
      3  -0.134621D+01 -0.293362D+00 -0.914860D+00  0.685401D-01 -0.907784D+00
               141           142           143           144           145 
      1   0.685401D-01 -0.235956D+01 -0.512741D+00 -0.139398D+01 -0.727974D+01
      2  -0.907784D+00 -0.512741D+00 -0.154813D+01 -0.419914D+00  0.260976D+01
      3   0.491116D+00 -0.139398D+01 -0.419914D+00 -0.747447D+01  0.606479D+00
               146           147           148           149           150 
      1   0.260976D+01  0.606479D+00  0.130719D+01 -0.126418D+01 -0.128807D+00
      2  -0.297599D+01 -0.556614D+00 -0.126418D+01  0.115553D+01 -0.112987D-01
      3  -0.556614D+00 -0.115353D+01 -0.128807D+00 -0.112987D-01  0.438645D+00
               151           152           153           154           155 
      1  -0.168837D+00  0.952923D-02 -0.684765D+00 -0.475755D+01 -0.214493D+01
      2   0.952923D-02 -0.194405D+00  0.485492D+00 -0.214493D+01 -0.207664D+01
      3  -0.684765D+00  0.485492D+00  0.440989D+00  0.669497D+00  0.428867D+00
               156           157           158           159           160 
      1   0.669497D+00 -0.422757D+01 -0.248069D+01  0.627012D+00  0.152783D+01
      2   0.428867D+00 -0.248069D+01 -0.315499D+01  0.669275D+00  0.794113D+00
      3  -0.102927D+01  0.627012D+00  0.669275D+00 -0.834582D+00 -0.112994D+01
               161           162           163           164           165 
      1   0.794113D+00 -0.112994D+01 -0.649322D+00  0.711074D+00  0.338166D+00
      2   0.100382D+01 -0.586074D+00  0.711074D+00 -0.182103D+01 -0.111060D+00
      3  -0.586074D+00  0.519069D+00  0.338166D+00 -0.111060D+00 -0.245394D+00
               166           167           168           169           170 
      1   0.147765D+01 -0.652421D-01 -0.197276D+00  0.606071D+00 -0.241022D-01
      2  -0.652421D-01  0.766034D+01  0.717300D+00 -0.241022D-01  0.194331D+01
      3  -0.197276D+00  0.717300D+00  0.129354D+01 -0.705957D-01  0.105676D+01
               171           172           173           174           175 
      1  -0.705957D-01  0.356694D+01  0.719209D+00  0.158706D+01  0.159860D+01
      2   0.105676D+01  0.719209D+00  0.198217D+01 -0.110648D+01  0.188832D+01
      3   0.238717D+00  0.158706D+01 -0.110648D+01  0.228723D+01 -0.539606D+00
               176           177           178           179           180 
      1   0.188832D+01 -0.539606D+00  0.141852D+01 -0.733581D+00  0.331364D+01
      2   0.156857D+01  0.956574D-01 -0.733581D+00 -0.378018D+00 -0.825368D+00
      3   0.956574D-01  0.119795D+01  0.331364D+01 -0.825368D+00  0.389839D+01
               181           182           183           184           185 
      1   0.411428D+01  0.225426D+01 -0.107992D+01  0.389447D+01  0.224517D+01
      2   0.225426D+01  0.181828D+01 -0.360556D+00  0.224517D+01  0.343639D+01
      3  -0.107992D+01 -0.360556D+00  0.108397D+01 -0.590192D+00 -0.127729D+01
               186           187           188           189           190 
      1  -0.590192D+00 -0.145770D+01 -0.343135D+00  0.136626D+01  0.202399D+01
      2  -0.127729D+01 -0.343135D+00 -0.105838D+01  0.750175D+00 -0.142048D+01
      3   0.113246D+01  0.136626D+01  0.750175D+00 -0.806908D+00 -0.149532D+01
               191           192           193           194           195 
      1  -0.142048D+01 -0.149532D+01 -0.280137D+01  0.299892D+01  0.131651D+01
      2   0.143801D+01  0.636773D+00  0.299892D+01 -0.499497D+01 -0.266752D+01
      3   0.636773D+00  0.100963D+01  0.131651D+01 -0.266752D+01 -0.297003D+01
               196           197           198           199           200 
      1  -0.223245D+01  0.128310D+01  0.184525D+01 -0.148393D+00 -0.769580D+00
      2   0.128310D+01 -0.242987D+01 -0.241899D+01 -0.769580D+00  0.178350D+01
      3   0.184525D+01 -0.241899D+01 -0.337229D+01 -0.318698D+00  0.378966D+00
               201           202           203           204           205 
      1  -0.318698D+00 -0.115951D+01 -0.162076D+00  0.136402D+00 -0.660300D+00
      2   0.378966D+00 -0.162076D+00 -0.898772D+01 -0.173323D+01 -0.824770D-01
      3   0.238675D+00  0.136402D+00 -0.173323D+01 -0.156503D+01  0.143771D-01
               206           207           208           209           210 
      1  -0.824770D-01  0.143771D-01 -0.181037D+01 -0.924134D+00  0.258896D+00
      2  -0.394021D+01 -0.185743D+01 -0.924134D+00 -0.150250D+01  0.879131D+00
      3  -0.185743D+01 -0.102483D+01  0.258896D+00  0.879131D+00 -0.149397D+01
               211           212           213           214           215 
      1  -0.197253D+01 -0.731846D+00  0.273840D+00  0.806224D+00  0.348262D+00
      2  -0.731846D+00 -0.301056D+01  0.153605D+01  0.348262D+00  0.136477D+01
      3   0.273840D+00  0.153605D+01 -0.191263D+01 -0.327887D+00 -0.974901D+00
               216 
      1  -0.327887D+00
      2  -0.974901D+00
      3   0.198721D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.389995D-02  0.102051D+00 -0.223413D+01 -0.680762D+00  0.812586D+00
      2  -0.257884D+00 -0.119585D+00 -0.115427D+00  0.391798D+00  0.169761D+01
      3  -0.219868D+01 -0.474598D+00 -0.133311D+00  0.453427D+01  0.135422D+01
                 6             7             8             9            10 
      1   0.115385D+01 -0.123469D+01  0.440553D+01 -0.643825D+01 -0.430224D+00
      2   0.133089D+01 -0.374880D+01  0.532179D+00 -0.470794D+01 -0.191949D+01
      3  -0.549670D+00  0.117082D+00 -0.165011D+01  0.227674D+00 -0.194619D+01
                11            12            13            14            15 
      1  -0.109577D+01 -0.564475D+00  0.262615D+00  0.927172D-01 -0.191528D+01
      2  -0.661544D+00  0.231393D+01 -0.182870D-01 -0.156272D+01 -0.265404D+01
      3  -0.520466D+01 -0.103929D+00  0.241191D+00  0.377306D+00  0.168084D+01
                16            17            18            19            20 
      1  -0.920362D+00  0.372722D+01 -0.119979D+01 -0.975170D-01 -0.289338D+00
      2  -0.140979D+01 -0.149602D+01  0.952636D+01 -0.264136D+00  0.831879D+00
      3  -0.439751D+00  0.223811D+01  0.195176D+01  0.289345D+01 -0.117224D+01
                21            22            23            24            25 
      1   0.264716D+01 -0.741468D-01 -0.190620D+01 -0.182203D+01  0.228450D+01
      2   0.100905D+01 -0.795616D+00  0.716266D+00 -0.484816D+00 -0.457077D+01
      3  -0.238326D+00  0.435294D+01 -0.448763D+01 -0.213557D+01  0.106405D+00
                26            27            28            29            30 
      1   0.202843D+01  0.546246D+01 -0.196302D+01 -0.838830D+00  0.104194D+01
      2   0.446850D+00 -0.293936D+01 -0.630453D+01  0.334622D+01 -0.463385D+00
      3  -0.110572D+01 -0.242918D+01 -0.630256D+01 -0.838072D+01 -0.626201D+00
                31            32            33            34            35 
      1  -0.901758D+00  0.391699D+00  0.175306D+01  0.104675D+00  0.404753D+01
      2   0.233814D+01 -0.112962D+01 -0.354234D+01 -0.496986D+01  0.198111D+00
      3  -0.488445D+01  0.107809D+01  0.332248D+01  0.208732D+00  0.295168D+01
                36            37            38            39            40 
      1  -0.533823D+00  0.137680D+01  0.126674D+00 -0.160009D+01  0.137386D+01
      2   0.105391D+02  0.330855D+01 -0.719863D+00  0.874901D+01 -0.200167D+01
      3   0.176301D+01 -0.751981D+01 -0.411920D+01  0.133663D+00  0.143729D+02
                41            42            43            44            45 
      1   0.237754D+01 -0.561346D+01  0.184719D+01  0.201724D+01  0.958581D+00
      2  -0.120087D+01  0.163923D+01 -0.461323D+01 -0.119303D+01  0.222701D+00
      3   0.518515D+01 -0.364505D+00 -0.264262D+01 -0.132326D+01 -0.352015D+00
                46            47            48            49            50 
      1   0.588342D+00 -0.930861D+00  0.217510D+01 -0.898098D+00 -0.250905D+01
      2  -0.257283D+01 -0.116695D+01 -0.533993D+01 -0.632229D-01  0.263831D+01
      3   0.556976D+01  0.371885D+01 -0.135076D+00  0.239691D+01 -0.173027D+01
                51            52            53            54            55 
      1  -0.490541D+00  0.435746D+00  0.153687D+01  0.728410D+01 -0.874868D+00
      2   0.139152D+01 -0.607519D+01 -0.516664D+00 -0.838748D+01 -0.543045D+01
      3  -0.195866D+01  0.926699D+00 -0.138187D+01 -0.316985D+01  0.164492D+02
                56            57            58            59            60 
      1   0.286052D+00 -0.381463D+00  0.176149D+01 -0.204598D+01 -0.618597D+01
      2   0.210449D+01  0.183302D+01  0.353859D+00 -0.252531D+01 -0.169059D+01
      3  -0.284053D+01 -0.625283D-01  0.557430D+01  0.666494D+01  0.902295D+00
                61            62            63            64            65 
      1   0.471085D+00  0.690698D+00 -0.303856D+01  0.120991D+01  0.326435D+00
      2  -0.351329D+01 -0.148867D+01 -0.152320D+01  0.911352D+00 -0.385387D+00
      3   0.303403D+01  0.270684D+01  0.112932D+01 -0.143574D+00 -0.163814D+01
                66            67            68            69            70 
      1   0.702166D+00  0.148271D-01  0.127964D+01 -0.108930D+01  0.788385D+00
      2   0.166514D+01  0.355786D-01  0.523409D+00 -0.224578D+00 -0.301315D+01
      3  -0.105682D+01  0.760528D+00 -0.178096D+00 -0.794121D+00 -0.254474D+01
                71            72            73            74            75 
      1   0.312126D+01  0.856116D+01  0.575205D+00 -0.618961D-01  0.561648D+00
      2  -0.437598D+00  0.609766D+01  0.427002D+01  0.203163D+01  0.471810D+01
      3  -0.170775D+01 -0.919466D-01  0.936859D+01 -0.228212D+01 -0.216358D+01
                76            77            78            79            80 
      1  -0.107103D+01  0.104198D+01 -0.183733D+01  0.840866D+00  0.267837D+01
      2   0.183603D+01  0.269143D+01 -0.313673D+01 -0.190812D+01 -0.175216D+01
      3   0.755883D+01  0.158291D+02 -0.276711D+01 -0.215922D+01 -0.520459D+01
                81            82            83            84            85 
      1  -0.303327D-01  0.212122D+00  0.805617D+00  0.203538D+00  0.511549D+00
      2   0.225260D+01 -0.298061D+01  0.110220D+00 -0.113251D+01  0.519062D+00
      3   0.139258D+01 -0.151813D-01 -0.436294D-01 -0.228566D+00  0.171348D+01
                86            87            88            89            90 
      1  -0.322054D+00 -0.121375D+01  0.160861D+00  0.348455D+01  0.930118D+00
      2  -0.154404D+01  0.126794D+01 -0.435221D+01  0.759348D+00 -0.108980D+02
      3  -0.664267D+00  0.128780D+01 -0.431594D+00  0.214428D+01 -0.516823D+00
                91            92            93            94            95 
      1  -0.157951D+01  0.611475D+00 -0.907732D+00  0.249808D+00 -0.132872D+01
      2   0.344781D+00  0.444095D+00  0.550213D+00  0.730535D+00  0.230825D+00
      3   0.896940D+00 -0.171776D+01  0.117616D+01  0.358065D+00  0.799812D+00
                96            97            98            99           100 
      1  -0.127942D+00 -0.170498D+01  0.364049D+01 -0.706982D+01  0.211888D+01
      2   0.397073D-01 -0.336350D+01  0.320130D+00  0.384820D+01 -0.138236D+00
      3  -0.564275D+00  0.240315D+01 -0.172035D+01  0.114817D+01  0.806056D+01
               101           102           103           104           105 
      1  -0.191782D+01 -0.351092D+01 -0.718420D+00  0.685674D+01 -0.166858D+01
      2  -0.330182D+00  0.426845D+01  0.927480D+00 -0.123989D+01  0.112117D+01
      3  -0.946447D+01 -0.229411D+01  0.316521D-02  0.952801D+01  0.288138D+01
               106           107           108           109           110 
      1  -0.247336D+01  0.471879D+01  0.342362D+01  0.289860D+01  0.118540D+01
      2  -0.124218D+01  0.682428D+00 -0.140215D+01  0.882545D+01 -0.322583D+01
      3  -0.456370D+01  0.486487D+01  0.195335D+01  0.646050D+01  0.715091D+01
               111           112           113           114           115 
      1  -0.101615D+01  0.137362D+01  0.157585D+01 -0.350038D+01 -0.129346D+01
      2   0.736214D+00 -0.367909D+01  0.788464D+01  0.591159D+01 -0.789827D+01
      3  -0.206098D+00  0.166264D+02 -0.380769D+00 -0.908670D+01  0.533791D+00
               116           117           118           119           120 
      1  -0.206115D+01 -0.235419D+01 -0.393637D-01  0.958726D+00  0.332274D+00
      2   0.650303D+01 -0.493136D+01 -0.240820D+01 -0.222621D+00 -0.325099D+00
      3  -0.902277D+01 -0.540178D+01  0.270944D+00  0.900552D-01  0.246275D+00
               121           122           123           124           125 
      1   0.245861D+00 -0.147105D+01 -0.294518D-01  0.253334D+00  0.441795D+01
      2  -0.471645D-01 -0.199414D+01  0.809735D+00 -0.520787D+01  0.355275D+00
      3   0.214880D+01 -0.160769D+01  0.156016D+01  0.585410D+00  0.224915D+01
               126           127           128           129           130 
      1  -0.979074D+00  0.169609D+01 -0.384468D+00 -0.310020D+01  0.845584D+00
      2  -0.116185D+02 -0.227487D+01 -0.139465D+00  0.431540D+01  0.414520D+00
      3  -0.152264D+01  0.537579D+01 -0.700152D+01 -0.254915D+01  0.392331D+01
               131           132           133           134           135 
      1   0.104655D+02 -0.226651D+01 -0.176224D+01  0.535874D+01  0.551801D+01
      2  -0.424372D+01  0.546433D+00 -0.442418D+00  0.179504D+00 -0.260565D+01
      3   0.871382D+01  0.432779D+01 -0.526885D+01  0.804299D+01  0.293006D+01
               136           137           138           139           140 
      1  -0.185271D+01  0.120327D+00 -0.915072D+00  0.504280D+00 -0.180350D+01
      2   0.103588D+01  0.588535D+00  0.141650D+01  0.703359D+00  0.731097D+00
      3   0.107173D+01 -0.171196D+01  0.163986D+01 -0.790567D-02  0.160638D+01
               141           142           143           144           145 
      1   0.544246D+00 -0.807422D+00  0.470717D+01 -0.834377D+01 -0.236224D+00
      2  -0.104700D+01 -0.330129D+01 -0.147315D+00  0.888337D+01  0.453989D+01
      3  -0.100870D+01  0.311417D+01 -0.169858D+01  0.228947D+01 -0.182163D+02
               146           147           148           149           150 
      1  -0.252712D+00  0.281275D+01 -0.168472D+00  0.158866D+00 -0.824964D+00
      2  -0.933644D+00  0.257274D+01 -0.642833D+00  0.774624D+00 -0.709612D+00
      3  -0.191494D+00  0.681462D+00  0.131074D+01 -0.264624D+01 -0.622132D+00
               151           152           153           154           155 
      1   0.143097D+01 -0.221251D+00 -0.752722D+00 -0.444515D-01  0.446125D-01
      2   0.525949D+00 -0.735976D+00 -0.292346D+00 -0.210621D+01 -0.153107D+01
      3  -0.881032D+00 -0.543212D+00 -0.769355D+00 -0.723306D+01 -0.787370D+01
               156           157           158           159           160 
      1  -0.658288D+00  0.348439D+00 -0.818868D+00 -0.855484D+00 -0.288263D+00
      2   0.355340D+01 -0.218757D+01 -0.240111D+01  0.345701D+01  0.233907D+01
      3   0.169457D+01 -0.734559D+01 -0.133278D+02  0.239407D+01  0.292171D+01
               161           162           163           164           165 
      1   0.748915D+00  0.348206D+00 -0.161771D+01  0.185351D+01  0.143046D+01
      2   0.185669D+01 -0.144760D+01  0.214191D+00  0.175082D-01 -0.484523D+00
      3   0.388839D+01 -0.167227D+01 -0.488463D+01  0.494205D+01  0.173559D+01
               166           167           168           169           170 
      1   0.110239D+01 -0.649601D+01 -0.480977D+01  0.562002D+00 -0.304551D+01
      2  -0.584828D-01  0.725060D+00  0.119180D+01 -0.109560D+01  0.109538D+01
      3   0.595918D+01 -0.131601D+02 -0.217455D+01  0.276381D+01 -0.382049D+01
               171           172           173           174           175 
      1  -0.149272D+01  0.236515D+01  0.275827D+01  0.162235D+01  0.142864D+01
      2   0.340953D+00 -0.567857D+00 -0.560221D+01  0.115811D+02 -0.415329D+01
      3  -0.183395D+01 -0.742144D+01 -0.100049D+02  0.277919D+01 -0.602450D+01
               176           177           178           179           180 
      1   0.349226D+01 -0.346370D+01  0.583252D+00  0.447172D+01  0.497658D+01
      2  -0.214078D+01  0.373676D+01  0.435423D+01 -0.396853D+00  0.132325D+02
      3  -0.556118D+01  0.243860D+00  0.153733D+01  0.511459D+00 -0.201393D+00
               181           182           183           184           185 
      1  -0.198208D+01 -0.148713D+01 -0.301680D+00 -0.165279D+01 -0.312162D+01
      2  -0.815062D+00  0.125307D+00  0.376746D+01  0.104966D+01 -0.259163D+01
      3  -0.811249D+01 -0.769509D+01  0.168557D+01 -0.643792D+01 -0.138487D+02
               186           187           188           189           190 
      1   0.327124D-01  0.342887D+00  0.215258D+01 -0.590701D+00  0.119381D+00
      2   0.409680D+01  0.182757D+01  0.203986D+01 -0.141782D+01 -0.290603D+01
      3   0.418689D+01  0.139903D+01  0.372852D+01 -0.279783D+01  0.226247D+01
               191           192           193           194           195 
      1  -0.100452D+01  0.839999D+00 -0.122391D+01  0.291828D+01 -0.231335D+01
      2   0.118228D+01  0.270289D+01  0.872154D+00 -0.561701D+01 -0.877151D+01
      3  -0.447768D+01 -0.999939D+00 -0.407933D+01  0.129213D+02  0.662593D+01
               196           197           198           199           200 
      1   0.432435D+00  0.142231D+01 -0.169671D+01 -0.442920D+00  0.169177D+01
      2   0.192675D+01 -0.608728D+01 -0.888985D+01  0.757296D+00 -0.297072D+00
      3  -0.123008D+01  0.643385D+01  0.577854D+01 -0.220173D+01  0.396808D+01
               201           202           203           204           205 
      1   0.144609D+01  0.428975D+00 -0.681169D+01 -0.570932D+01  0.296550D+00
      2  -0.170354D+00 -0.615818D+00  0.253373D+01  0.207289D+01 -0.984190D+00
      3   0.145622D+01  0.419114D+01 -0.148038D+02 -0.361496D+01  0.226516D+01
               206           207           208           209           210 
      1  -0.523605D+01 -0.325866D+01 -0.200377D+01 -0.260755D+01 -0.625276D+00
      2   0.250181D+01  0.129738D+01  0.585900D+01  0.459267D+01 -0.513341D+01
      3  -0.660972D+01 -0.329381D+01  0.694692D+01  0.576964D+01 -0.247052D+01
               211           212           213           214           215 
      1  -0.218259D+01 -0.286830D+01 -0.334742D+00  0.218821D+00  0.184246D+01
      2   0.409086D+01  0.704386D+01 -0.635226D+01 -0.319361D+01 -0.378780D+01
      3   0.668327D+01  0.890728D+01 -0.465287D+01 -0.175494D+01 -0.397170D+01
               216 
      1   0.355900D+00
      2   0.570078D+01
      3   0.348891D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.477879D+01 -0.634967D+01 -0.438006D+00 -0.347807D+01  0.466760D+01
      2  -0.170668D+01  0.926051D+01  0.271134D+00  0.596625D+01 -0.123690D+02
      3  -0.307212D+01 -0.291084D+01  0.166872D+00 -0.248819D+01  0.770141D+01
      4  -0.254013D+01 -0.511827D+01  0.537076D-01 -0.984861D+01  0.776576D+01
      5   0.108697D+01 -0.149616D+01 -0.323551D+01 -0.332370D+01  0.164941D+01
      6   0.144062D+01  0.186118D+01  0.542943D+01  0.271204D+01 -0.704261D+01
                 6             7             8             9            10 
      1   0.342872D+01  0.134632D+01  0.430162D+01  0.526907D+01 -0.261636D+02
      2  -0.204071D+01  0.279546D+01 -0.107201D+02  0.312370D+01  0.139938D+02
      3  -0.138801D+01 -0.414178D+01  0.641844D+01 -0.839277D+01  0.121698D+02
      4   0.247662D+01 -0.230918D+01  0.636356D+01  0.490474D+01  0.357127D+01
      5   0.348481D+01 -0.304578D+01  0.311909D+01 -0.148348D+02 -0.118637D+01
      6  -0.728994D+01  0.416405D+01 -0.489426D+01  0.180135D+02 -0.411902D+00
                11            12            13            14            15 
      1  -0.896047D+00  0.142893D+01  0.317895D+01  0.861033D+01  0.613411D-01
      2   0.266009D+01  0.161184D+01 -0.170454D+01 -0.346525D+01 -0.112586D+01
      3  -0.176404D+01 -0.304077D+01 -0.147441D+01 -0.514508D+01  0.106452D+01
      4  -0.784654D-01  0.496982D-01  0.780618D+01  0.609051D+00 -0.229249D+01
      5  -0.109232D+00 -0.285792D+00  0.117080D+01 -0.165971D+01 -0.483334D+01
      6   0.267950D+00  0.185367D+01 -0.926842D+00 -0.565132D-01  0.232148D+00
                16            17            18            19            20 
      1  -0.496756D+01  0.162378D+01  0.122859D+02 -0.162472D+01  0.514809D+01
      2   0.307261D+01 -0.422902D+01  0.190133D+01 -0.228324D+00 -0.983788D+01
      3   0.189495D+01  0.260524D+01 -0.141873D+02  0.185305D+01  0.468979D+01
      4   0.212262D+01 -0.300533D+01 -0.263203D+01 -0.108848D+01 -0.777182D+01
      5   0.597401D+01 -0.282417D+01  0.202522D+02  0.156732D+01  0.259604D+01
      6   0.642411D+00  0.114184D+00  0.486124D+01 -0.304253D+00  0.376841D+01
                21            22            23            24            25 
      1  -0.143268D+01  0.184828D+01 -0.236779D+01 -0.324301D+01  0.145377D+01
      2   0.482869D+00 -0.657528D+01 -0.832952D+00  0.292113D+01  0.325814D+01
      3   0.949809D+00  0.472700D+01  0.320074D+01  0.321884D+00 -0.471191D+01
      4   0.106705D+01 -0.111846D+02 -0.592376D+01  0.165892D+01  0.373692D+01
      5  -0.381226D+01  0.164987D+01  0.321482D+01 -0.376251D+00 -0.232778D+01
      6  -0.553965D+01  0.271498D+01  0.466832D+01 -0.232811D+01 -0.344557D+01
                26            27            28            29            30 
      1  -0.162033D+01 -0.171190D+01 -0.145709D+02  0.718035D+01 -0.121369D+01
      2   0.556952D+01  0.583227D+01  0.672705D+01 -0.794203D+01  0.179231D+01
      3  -0.394919D+01 -0.412037D+01  0.784387D+01  0.761688D+00 -0.578618D+00
      4   0.615456D+01 -0.897170D+00  0.160006D-02 -0.176699D+01 -0.967356D-01
      5   0.622929D+00 -0.957691D+01 -0.251748D+01 -0.889212D+00 -0.120209D+01
      6   0.105393D+01 -0.139969D+02  0.212625D-01 -0.232028D+01 -0.800027D+00
                31            32            33            34            35 
      1   0.390077D+01  0.105898D+02 -0.306385D+01 -0.550015D+01 -0.197184D+00
      2  -0.277789D+01 -0.111436D+02 -0.367819D+01  0.293882D+01 -0.592653D+00
      3  -0.112288D+01  0.553830D+00  0.674204D+01  0.256133D+01  0.789837D+00
      4  -0.284191D+01 -0.778105D+01 -0.463212D+01  0.406988D+01 -0.218213D+01
      5   0.160846D+01 -0.694682D+01 -0.732708D+01  0.244760D-01 -0.207176D+01
      6  -0.380349D+01  0.319295D+01 -0.610170D+00 -0.108066D+01  0.957890D+00
                36            37            38            39            40 
      1   0.153489D+02  0.112908D+02 -0.244495D+01  0.141451D+01 -0.113948D+01
      2   0.117175D+02 -0.684208D+01  0.178223D+01 -0.151927D+01  0.171628D+01
      3  -0.270664D+02 -0.444869D+01  0.662720D+00  0.104761D+00 -0.576799D+00
      4  -0.264302D+01 -0.914096D+01  0.125361D+02 -0.221032D+00  0.125336D+02
      5   0.175169D+02  0.190491D+01  0.309855D+00  0.145094D+02 -0.109892D+01
      6   0.254052D+00  0.939288D+00  0.628018D+00  0.430738D+01  0.106726D+01
                41            42            43            44            45 
      1  -0.123474D+02  0.281058D+01  0.323903D+01  0.195346D+01 -0.449277D+01
      2   0.181380D+02  0.111310D+01 -0.385885D+01 -0.311787D+01 -0.243786D+01
      3  -0.579056D+01 -0.392367D+01  0.619820D+00  0.116441D+01  0.693064D+01
      4  -0.687658D+00  0.607408D+00 -0.537974D+01 -0.745718D+00 -0.194295D+01
      5   0.169371D+01  0.239172D+01  0.434998D+01 -0.156387D+01  0.136591D+01
      6  -0.229309D+00  0.573455D+01 -0.156118D+01  0.476429D+01  0.291664D-01
                46            47            48            49            50 
      1  -0.107491D+02  0.558759D+01  0.252853D+01 -0.263785D+01 -0.336010D+01
      2   0.919356D+01 -0.687819D+01  0.104686D+01 -0.418006D+01 -0.322177D+01
      3   0.155553D+01  0.129060D+01 -0.357538D+01  0.681791D+01  0.658187D+01
      4   0.617766D+01 -0.125579D+02 -0.132298D+01 -0.147971D+02 -0.799630D+01
      5   0.137608D+01 -0.101817D+00 -0.136671D+02  0.146720D+01  0.172967D+01
      6  -0.270747D+00  0.944723D+00 -0.797097D+01  0.293472D+00  0.463351D+01
                51            52            53            54            55 
      1  -0.394432D+01  0.354913D+01 -0.364229D+01  0.401612D+01 -0.141998D+02
      2  -0.614909D+00  0.301824D+01  0.687543D+01  0.142105D+02  0.595456D+01
      3   0.455923D+01 -0.656738D+01 -0.323315D+01 -0.182266D+02  0.824519D+01
      4   0.236476D+01  0.279443D+01  0.544704D+01 -0.120382D+00  0.216241D+02
      5   0.179080D+01 -0.575312D+01  0.970532D+00 -0.181437D+02  0.137480D+01
      6  -0.211252D+01 -0.334560D+01  0.168402D+01 -0.173871D+02  0.219023D+01
                56            57            58            59            60 
      1   0.278854D+01 -0.646889D+00  0.273693D+01 -0.239265D+02 -0.725128D+01
      2  -0.103512D+01  0.163284D+01 -0.569032D+01  0.398841D+02  0.569931D+01
      3  -0.175342D+01 -0.985955D+00  0.295338D+01 -0.159576D+02  0.155197D+01
      4   0.113617D+01  0.729211D+00  0.108241D+02 -0.198692D+02 -0.500095D+01
      5  -0.484351D+00  0.370571D+01  0.203980D+01 -0.357477D+01 -0.234639D+01
      6   0.503797D-01  0.222644D+00 -0.257215D+01  0.124136D+02  0.121239D+02
                61            62            63            64            65 
      1  -0.124183D+01 -0.929938D+01 -0.874532D+01  0.111722D+01  0.765371D+00
      2  -0.122436D+01  0.128203D+02  0.339067D+01 -0.306929D+01 -0.149663D+01
      3   0.246619D+01 -0.352096D+01  0.535465D+01  0.195207D+01  0.731260D+00
      4   0.685140D+01 -0.923667D+01 -0.526560D+01 -0.145284D+01  0.346471D+01
      5   0.555708D+01 -0.510041D+01 -0.361219D+01  0.414918D+01 -0.122969D+01
      6  -0.331244D+01  0.151423D+02  0.809441D+01 -0.353143D+01  0.441282D+00
                66            67            68            69            70 
      1   0.186579D+01  0.892758D+00 -0.349626D+01  0.279047D+01  0.148130D+01
      2  -0.238021D+01 -0.154733D+01  0.277733D+01 -0.286166D+01 -0.264724D+01
      3   0.514414D+00  0.654570D+00  0.718923D+00  0.711927D-01  0.116593D+01
      4  -0.312269D+01  0.323641D+01 -0.269559D+01  0.257113D+01 -0.461561D+01
      5   0.778912D+01 -0.270109D+00  0.253272D+01 -0.136133D+01  0.623461D+01
      6  -0.214381D+01  0.100947D+01 -0.418181D+01  0.712184D+01 -0.331046D+01
                71            72            73            74            75 
      1   0.417836D+01 -0.115255D+02  0.463054D+02 -0.141017D+02  0.298095D+01
      2  -0.365012D+01 -0.107402D+02 -0.277406D+02  0.692747D+01 -0.209755D+01
      3  -0.528240D+00  0.222656D+02 -0.185648D+02  0.717422D+01 -0.883402D+00
      4   0.409944D+01 -0.365619D+01 -0.171684D+02  0.241616D+01  0.287069D+01
      5  -0.247542D+01  0.169900D+02  0.520216D+01  0.375010D+01  0.886197D+01
      6   0.679648D+01 -0.215905D+02  0.634563D+00  0.374986D+00 -0.156446D+01
                76            77            78            79            80 
      1  -0.297365D+02 -0.829318D+01  0.349721D+01  0.159241D+02  0.333674D+01
      2   0.161992D+02  0.745152D+01 -0.168915D+01 -0.850812D+01 -0.151725D+01
      3   0.135373D+02  0.841663D+00 -0.180806D+01 -0.741599D+01 -0.181948D+01
      4  -0.287002D+01 -0.205447D+02  0.565180D+01  0.322545D+01  0.748031D+01
      5   0.458502D+01  0.675531D+01 -0.490298D+01  0.956963D+01 -0.340224D+01
      6   0.178648D+01  0.181396D+01  0.358394D+01 -0.951439D+00  0.256757D+01
                81            82            83            84            85 
      1   0.219731D+01 -0.701575D-01  0.299112D+00 -0.550925D+01  0.627936D+00
      2  -0.511594D+01 -0.292589D+01 -0.575851D-01  0.895322D+00 -0.322932D+00
      3   0.291863D+01  0.299605D+01 -0.241527D+00  0.461393D+01 -0.305004D+00
      4  -0.317338D+01 -0.188094D+00  0.143241D+00 -0.275648D+00  0.113687D+00
      5   0.298321D+01 -0.230627D+01 -0.310085D+00  0.294607D+01 -0.221331D+00
      6   0.519375D+00 -0.763978D+00  0.373982D+00 -0.561195D+00 -0.798599D-02
                86            87            88            89            90 
      1  -0.476393D+01  0.165827D+01 -0.716625D+01  0.143992D+01 -0.161223D+02
      2   0.854449D+00  0.673390D-01  0.334773D+01  0.563950D+00 -0.130499D+02
      3   0.390948D+01 -0.172561D+01  0.381852D+01 -0.200387D+01  0.291722D+02
      4   0.136976D+01 -0.225501D+01 -0.897072D+00 -0.385145D+01  0.153557D+01
      5  -0.247895D+01  0.216827D+01  0.389447D+01  0.198153D+01 -0.203554D+02
      6  -0.154050D+01  0.690668D+01 -0.162723D+00  0.406194D+01 -0.465085D+01
                91            92            93            94            95 
      1   0.148350D+01 -0.152056D+01  0.173173D+01 -0.123513D+01 -0.724736D+00
      2  -0.303090D+01  0.241814D+01 -0.140400D+01  0.191616D+01 -0.109460D+01
      3   0.154740D+01 -0.897584D+00 -0.327734D+00 -0.681027D+00  0.181934D+01
      4   0.783656D+00  0.270144D+01  0.148763D+01  0.307952D+01  0.672299D+00
      5   0.331314D+01 -0.219185D+00  0.545812D+01 -0.313055D-01  0.199375D+01
      6   0.223490D+01 -0.224149D-01  0.170836D+01  0.442838D+00  0.157229D+01
                96            97            98            99           100 
      1  -0.118111D+01  0.163231D+01 -0.290348D+01 -0.833232D+01  0.114269D+02
      2   0.207228D+01 -0.331218D+01  0.451519D+01 -0.118808D+02 -0.219868D+01
      3  -0.891172D+00  0.167987D+01 -0.161172D+01  0.202132D+02 -0.922822D+01
      4   0.234391D+01  0.265386D+01  0.310935D+01  0.108137D+01  0.186264D+02
      5   0.637559D-01  0.556536D+01 -0.149141D+00  0.126028D+02 -0.451763D+01
      6   0.404230D+01  0.229519D+01  0.310280D+01  0.141534D+02 -0.573079D+01
               101           102           103           104           105 
      1  -0.898485D+01 -0.718055D+00 -0.359672D+01  0.819074D+01  0.617771D+01
      2   0.202893D+02  0.241514D+01  0.116997D+02 -0.786003D+01 -0.837760D+01
      3  -0.113045D+02 -0.169708D+01 -0.810297D+01 -0.330710D+00  0.219989D+01
      4   0.213346D+02 -0.398310D+01  0.182828D+02  0.122505D+02 -0.411333D+01
      5  -0.120720D+01  0.828320D+01 -0.111877D+01 -0.684785D+01  0.133296D+01
      6  -0.310368D+01  0.598246D+01 -0.242384D+01 -0.106743D+02  0.687716D+01
               106           107           108           109           110 
      1  -0.187535D+01  0.106713D+02 -0.152366D+01  0.105373D+02 -0.136326D+02
      2   0.315824D+00 -0.171498D+02 -0.233817D+01 -0.740116D+01  0.101630D+02
      3   0.155952D+01  0.647849D+01  0.386182D+01 -0.313619D+01  0.346966D+01
      4  -0.775469D+01 -0.103462D+02  0.593637D+01 -0.118428D+02 -0.134401D+02
      5   0.815807D+01  0.322308D+01 -0.361873D+01  0.731379D+01  0.196602D+00
      6   0.736637D+01  0.905284D+01 -0.754221D+01 -0.152404D+01  0.522138D+01
               111           112           113           114           115 
      1   0.694074D+01 -0.142188D+02 -0.176222D+02  0.281648D+01  0.938372D+01
      2  -0.164615D+01  0.102651D+02  0.619427D+01 -0.553568D+01 -0.328418D+01
      3  -0.529459D+01  0.395364D+01  0.114279D+02  0.271920D+01 -0.609954D+01
      4  -0.166927D+01 -0.227437D+02  0.702193D+01  0.203810D+02 -0.247989D+01
      5  -0.855239D+01 -0.645629D+00  0.234520D+02  0.138023D+02 -0.257263D+02
      6   0.312842D+01  0.860791D+01 -0.828628D+01 -0.935034D+01  0.814652D+01
               116           117           118           119           120 
      1   0.271727D+01 -0.107677D+02  0.115596D+01 -0.185126D+00 -0.452755D+01
      2  -0.265422D+01  0.455831D+01 -0.431374D+01  0.167799D+00  0.115074D+01
      3  -0.630439D-01  0.620935D+01  0.315778D+01  0.173265D-01  0.337681D+01
      4   0.168659D+02  0.163868D+02 -0.214318D+00  0.128001D+01  0.102280D+01
      5   0.159666D+02 -0.477461D+01 -0.354145D+01  0.100520D+00  0.574817D+01
      6  -0.151455D+02 -0.342199D+01  0.493812D+00  0.630636D+00 -0.242232D+00
               121           122           123           124           125 
      1   0.168632D+00 -0.501547D+01  0.759539D+00 -0.411599D+01  0.978550D+00
      2  -0.472690D+00  0.772744D+00  0.177246D+01  0.475555D+01  0.775643D+00
      3   0.304058D+00  0.424272D+01 -0.253200D+01 -0.639562D+00 -0.175419D+01
      4   0.129146D+01  0.160204D+01 -0.192707D+01  0.106155D+01 -0.254240D+01
      5  -0.610711D+00 -0.250816D+01  0.206430D+01  0.698409D+01  0.108739D+01
      6   0.156824D+00 -0.376977D+00  0.698024D+01  0.570637D+00  0.510002D+01
               126           127           128           129           130 
      1  -0.207985D+02  0.105287D+02 -0.703202D+01 -0.288856D+01 -0.330550D+00
      2  -0.183146D+02  0.389276D+00  0.183616D+02  0.382822D+01  0.919036D+01
      3   0.391131D+02 -0.109179D+02 -0.113296D+02 -0.939663D+00 -0.885981D+01
      4   0.143926D+01  0.162079D+02  0.215899D+02 -0.316719D+01  0.189639D+02
      5  -0.200452D+02 -0.247358D+01  0.642182D+00  0.716810D+01 -0.179618D+00
      6   0.224340D+01 -0.375458D+01  0.159863D+01  0.569680D+01  0.370028D+00
               131           132           133           134           135 
      1   0.115176D+02  0.100055D+02 -0.437706D+01  0.162299D+02  0.957534D+00
      2  -0.103889D+02 -0.135131D+02  0.570687D+00 -0.282939D+02 -0.581709D+01
      3  -0.112869D+01  0.350765D+01  0.380637D+01  0.120640D+02  0.485955D+01
      4   0.113012D+02 -0.514102D+01 -0.892908D+01 -0.149540D+02  0.383419D+01
      5  -0.655556D+01  0.721908D+00  0.704896D+01  0.471023D+00 -0.451028D+01
      6  -0.183480D+02  0.408994D+01  0.580485D+01  0.327870D+01 -0.988335D+01
               136           137           138           139           140 
      1   0.174024D+01 -0.352907D+00  0.186726D+01 -0.104522D+01 -0.195817D+01
      2  -0.469409D+01  0.479271D+00 -0.261948D+01  0.191598D+01 -0.782098D+00
      3   0.295385D+01 -0.126364D+00  0.752223D+00 -0.870756D+00  0.274027D+01
      4   0.147069D+01  0.338492D+01  0.329109D+01  0.314023D+01  0.270100D+00
      5   0.548457D+01  0.974490D+00  0.929255D+01 -0.528781D+00  0.273620D+01
      6   0.344835D+01  0.992692D+00  0.250421D+01  0.875186D+00  0.213568D+01
               141           142           143           144           145 
      1  -0.101733D+01  0.712635D+00 -0.267235D+01 -0.139682D+02  0.233848D+02
      2   0.388000D+01 -0.402027D+01  0.362197D+01 -0.177814D+02 -0.476807D+01
      3  -0.286267D+01  0.330764D+01 -0.949617D+00  0.317496D+02 -0.186167D+02
      4   0.217866D+01  0.523836D+01  0.514488D+01  0.203772D+01 -0.357047D+02
      5  -0.222778D+01  0.939986D+01  0.163712D+01  0.207423D+02 -0.606768D+01
      6   0.455111D+01  0.387532D+01  0.571337D+01  0.194319D+02  0.191656D+01
               146           147           148           149           150 
      1  -0.273037D+01 -0.283448D+00 -0.136374D+01  0.147801D+01  0.275855D+00
      2  -0.726188D+01 -0.432625D-01 -0.357812D+01  0.390516D+01 -0.188744D+00
      3   0.999225D+01  0.326711D+00  0.494186D+01 -0.538317D+01 -0.871110D-01
      4   0.195079D+02  0.342127D+01  0.105635D+02 -0.701407D+01 -0.562609D+00
      5   0.285362D+01  0.444782D+01  0.107732D+01 -0.410258D+00 -0.152412D+01
      6  -0.281792D+01 -0.495565D+01 -0.116027D+01  0.371108D+00  0.162288D+01
               151           152           153           154           155 
      1   0.111722D+01  0.261538D+00  0.787595D+00  0.301965D+02  0.136079D+02
      2   0.501623D-01 -0.876485D+00 -0.942471D+00 -0.153656D+02 -0.667689D+01
      3  -0.116739D+01  0.614948D+00  0.154876D+00 -0.148309D+02 -0.693099D+01
      4  -0.908074D+00  0.645635D+00 -0.352462D+01  0.146175D+02  0.136498D+02
      5   0.465269D+01 -0.203986D+01 -0.114117D+01 -0.553468D+01 -0.328586D+01
      6  -0.333308D+01  0.305861D+01  0.177188D+01 -0.111116D+01 -0.742851D+00
               156           157           158           159           160 
      1  -0.462618D+01  0.252652D+02  0.133565D+02 -0.388626D+01 -0.844526D+01
      2   0.218357D+01 -0.127063D+02 -0.471837D+01  0.198306D+01  0.505022D+01
      3   0.244260D+01 -0.125588D+02 -0.863817D+01  0.190320D+01  0.339505D+01
      4  -0.280728D+01  0.182548D+02  0.194194D+02 -0.478458D+01 -0.478369D+01
      5   0.649542D+01 -0.530551D+01 -0.529632D+01  0.564876D+01  0.857503D+01
      6   0.840108D+00 -0.176586D+01 -0.147587D+01  0.136188D+01  0.172835D+01
               161           162           163           164           165 
      1  -0.429898D+01  0.498028D+01 -0.227174D+01  0.803677D+01  0.477133D+00
      2   0.248679D+01 -0.386064D+01  0.388579D+01 -0.117955D+02 -0.159014D+01
      3   0.181219D+01 -0.111964D+01 -0.161405D+01  0.375874D+01  0.111301D+01
      4  -0.583174D+01  0.388790D+01 -0.149662D+01  0.914238D+00  0.111563D+01
      5   0.444027D+01 -0.341053D+01  0.628957D+00 -0.104240D+01 -0.870487D+00
      6   0.240381D+01 -0.133932D+01  0.140042D+01  0.767983D-01 -0.129397D+01
               166           167           168           169           170 
      1   0.372868D+01 -0.262520D+02 -0.227130D+01  0.101805D+01 -0.653533D+01
      2  -0.296563D+01  0.458897D+02  0.560262D+01 -0.858183D+00  0.112301D+02
      3  -0.763051D+00 -0.196377D+02 -0.333132D+01 -0.159870D+00 -0.469474D+01
      4   0.573193D+01  0.122496D+02  0.972572D+00  0.198117D+01  0.374004D+01
      5  -0.115548D+01  0.313651D+01  0.270205D+01  0.668648D+00  0.235693D+01
      6  -0.682365D+00  0.119995D+01  0.613795D+01 -0.612565D+00  0.668009D+01
               171           172           173           174           175 
      1  -0.456276D+01  0.293817D+02  0.862692D+01  0.338617D+01  0.114573D+02
      2   0.496026D+01 -0.177673D+02 -0.725194D+01 -0.530467D+01 -0.917145D+01
      3  -0.397496D+00 -0.116143D+02 -0.137498D+01  0.191849D+01 -0.228586D+01
      4   0.116355D+01 -0.379292D+01  0.136756D+02 -0.646079D+01  0.125983D+02
      5   0.642799D+00  0.154191D+02 -0.402776D+01  0.187899D+02 -0.184955D+01
      6   0.172445D+01 -0.416085D+00  0.769470D+01 -0.673281D+01  0.561406D+01
               176           177           178           179           180 
      1   0.131026D+02 -0.470252D+01  0.665216D+01 -0.683956D+01  0.757374D+01
      2  -0.569261D+01  0.191800D+01 -0.699964D+01  0.225469D+01 -0.174736D+02
      3  -0.741001D+01  0.278451D+01  0.347475D+00  0.458487D+01  0.989986D+01
      4   0.226694D+01  0.295337D+01 -0.697935D+01  0.171031D+01 -0.836472D+01
      5   0.418433D+01  0.342426D+01  0.279455D+02 -0.759923D+01  0.279903D+02
      6   0.347788D+01  0.137196D+01 -0.850232D+01  0.926240D+01 -0.366537D+01
               181           182           183           184           185 
      1   0.309216D+02  0.155318D+02 -0.667935D+01  0.253878D+02  0.128061D+02
      2  -0.165748D+02 -0.839043D+01  0.397808D+01 -0.143057D+02 -0.472097D+01
      3  -0.143467D+02 -0.714141D+01  0.270127D+01 -0.110821D+02 -0.808511D+01
      4   0.142684D+02  0.128907D+02 -0.255794D+01  0.156224D+02  0.202984D+02
      5  -0.102796D+02 -0.445479D+01  0.923625D+01 -0.731033D+01 -0.968620D+01
      6  -0.131397D+01 -0.244656D+01  0.230399D+00 -0.290670D+01 -0.251894D+01
               186           187           188           189           190 
      1  -0.416857D+01 -0.772585D+01 -0.201829D+01  0.614195D+01  0.122392D+02
      2   0.353388D+01  0.543702D+01  0.231102D+01 -0.535063D+01 -0.433475D+01
      3   0.634685D+00  0.228884D+01 -0.292731D+00 -0.791321D+00 -0.790440D+01
      4  -0.789705D+01 -0.228503D+01 -0.622409D+01  0.454211D+01 -0.124964D+02
      5   0.845908D+01  0.118713D+02  0.599626D+01 -0.628672D+01 -0.118574D+02
      6   0.249345D+01  0.809345D+00  0.363474D+01 -0.182396D+01  0.537574D+01
               191           192           193           194           195 
      1  -0.720650D+01 -0.771103D+01 -0.113861D+02  0.367809D+01  0.733878D-01
      2   0.161711D+01  0.386805D+01  0.193720D+01  0.833447D+01  0.263551D+01
      3   0.558939D+01  0.384298D+01  0.944888D+01 -0.120126D+02 -0.270890D+01
      4   0.132986D+02  0.665970D+01  0.229116D+02 -0.311403D+02 -0.168262D+02
      5   0.627239D+01  0.978240D+01  0.115612D+02 -0.179300D+02 -0.196367D+02
      6  -0.396186D+01 -0.382085D+01 -0.769559D+01  0.148481D+02  0.136266D+02
               196           197           198           199           200 
      1  -0.909118D+01  0.509939D-01  0.155701D+01 -0.139500D+01  0.944705D+01
      2   0.522391D+01  0.141081D+01 -0.273321D+01  0.348316D+01 -0.128855D+02
      3   0.386726D+01 -0.146180D+01  0.117620D+01 -0.208816D+01  0.343843D+01
      4   0.102211D+02 -0.146718D+02 -0.152021D+02  0.125979D+01  0.321035D+01
      5   0.156613D+02 -0.159159D+02 -0.217781D+02  0.825160D+00 -0.254343D+00
      6  -0.680338D+01  0.121789D+02  0.131385D+02  0.203607D+01 -0.350867D+01
               201           202           203           204           205 
      1   0.241581D+01  0.324887D+01 -0.312232D+02 -0.715871D+01  0.174062D+01
      2  -0.309272D+01 -0.127688D+01  0.544357D+02  0.116216D+02 -0.965581D+00
      3   0.676908D+00 -0.197199D+01 -0.232124D+02 -0.446289D+01 -0.775040D+00
      4   0.126377D+01  0.652588D+01  0.187997D+02  0.325162D+01  0.300953D+01
      5   0.193374D+00  0.576556D-02  0.587062D+01  0.408631D+01  0.114382D+01
      6  -0.223922D+01 -0.380070D+00  0.146682D+02  0.970419D+01 -0.186742D+00
               206           207           208           209           210 
      1  -0.140444D+02 -0.787974D+01 -0.116432D+02 -0.100634D+02  0.729291D+01
      2   0.217807D+02  0.980474D+01  0.743463D+01  0.662368D+01 -0.228743D+01
      3  -0.773631D+01 -0.192499D+01  0.420852D+01  0.343975D+01 -0.500548D+01
      4   0.801335D+01  0.334875D+01 -0.343237D+00 -0.509981D+01  0.273002D+01
      5   0.535972D+01  0.258915D+01 -0.112216D+01  0.149391D+01 -0.590946D+01
      6   0.142229D+02  0.734024D+01 -0.299888D+01 -0.600152D+01  0.596097D+01
               211           212           213           214           215 
      1  -0.130334D+02 -0.141805D+02  0.748150D+01  0.642820D+01  0.627641D+01
      2   0.798776D+01  0.127209D+02 -0.509120D+01 -0.298366D+01 -0.346655D+01
      3   0.504563D+01  0.145956D+01 -0.239030D+01 -0.344454D+01 -0.280987D+01
      4   0.655902D+00 -0.111049D+02  0.626252D+01  0.355130D+00  0.481715D+01
      5  -0.151570D+01  0.494556D+01 -0.760530D+01  0.142445D+01 -0.295132D+01
      6  -0.308356D+01 -0.101869D+02  0.830069D+01  0.234420D+01  0.650905D+01
               216 
      1  -0.746648D+01
      2   0.155572D+01
      3   0.591076D+01
      4  -0.267622D+01
      5   0.665461D+01
      6  -0.619625D+01
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Mon Sep 27 12:03:41 2021, MaxMem=  6442450944 cpu:           22757.9 elap:            2849.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -19.30285 -19.29711 -19.29052 -19.28213 -19.27466
 Alpha  occ. eigenvalues --  -19.26516 -10.42160 -10.36649 -10.36606 -10.36301
 Alpha  occ. eigenvalues --  -10.35788 -10.34705  -1.19441  -1.14898  -1.14025
 Alpha  occ. eigenvalues --   -1.12558  -1.11458  -1.10948  -0.89375  -0.87869
 Alpha  occ. eigenvalues --   -0.79454  -0.75184  -0.72442  -0.69404  -0.67402
 Alpha  occ. eigenvalues --   -0.63968  -0.62789  -0.61800  -0.59190  -0.58988
 Alpha  occ. eigenvalues --   -0.57101  -0.56176  -0.53622  -0.52123  -0.50926
 Alpha  occ. eigenvalues --   -0.50384  -0.48259  -0.47760  -0.45937  -0.44574
 Alpha  occ. eigenvalues --   -0.43337  -0.42401  -0.41624  -0.40066  -0.38432
 Alpha  occ. eigenvalues --   -0.37307  -0.36734  -0.36171
 Alpha virt. eigenvalues --    0.06431   0.07769   0.08881   0.09296   0.10893
 Alpha virt. eigenvalues --    0.11600   0.12417   0.13363   0.14003   0.15017
 Alpha virt. eigenvalues --    0.16329   0.16651   0.17327   0.17601   0.17914
 Alpha virt. eigenvalues --    0.18644   0.18880   0.19492   0.20005   0.21653
 Alpha virt. eigenvalues --    0.21993   0.22248   0.22485   0.22608   0.23268
 Alpha virt. eigenvalues --    0.24001   0.24503   0.25193   0.25772   0.26325
 Alpha virt. eigenvalues --    0.27538   0.27960   0.28505   0.29355   0.30009
 Alpha virt. eigenvalues --    0.30697   0.31652   0.32081   0.32222   0.32601
 Alpha virt. eigenvalues --    0.33135   0.33992   0.34572   0.34762   0.35526
 Alpha virt. eigenvalues --    0.35821   0.35904   0.36448   0.37142   0.37558
 Alpha virt. eigenvalues --    0.38271   0.39306   0.39511   0.40030   0.40051
 Alpha virt. eigenvalues --    0.40483   0.41228   0.41763   0.42494   0.43427
 Alpha virt. eigenvalues --    0.43650   0.43794   0.44157   0.45119   0.45184
 Alpha virt. eigenvalues --    0.45960   0.46455   0.47096   0.47295   0.47944
 Alpha virt. eigenvalues --    0.48601   0.49586   0.50425   0.50755   0.51180
 Alpha virt. eigenvalues --    0.52136   0.52713   0.52881   0.53649   0.54546
 Alpha virt. eigenvalues --    0.54718   0.55158   0.56141   0.56400   0.57781
 Alpha virt. eigenvalues --    0.57810   0.58155   0.59105   0.59540   0.60495
 Alpha virt. eigenvalues --    0.60759   0.60960   0.61145   0.62284   0.62491
 Alpha virt. eigenvalues --    0.62785   0.63280   0.63672   0.64712   0.64929
 Alpha virt. eigenvalues --    0.65068   0.65960   0.66222   0.67109   0.68029
 Alpha virt. eigenvalues --    0.68737   0.69029   0.69208   0.69945   0.70920
 Alpha virt. eigenvalues --    0.71179   0.71647   0.72325   0.73043   0.74003
 Alpha virt. eigenvalues --    0.74167   0.74697   0.75885   0.77110   0.77950
 Alpha virt. eigenvalues --    0.78767   0.79249   0.79866   0.81250   0.82089
 Alpha virt. eigenvalues --    0.82560   0.82790   0.83969   0.84666   0.85052
 Alpha virt. eigenvalues --    0.86064   0.86406   0.87571   0.88656   0.88848
 Alpha virt. eigenvalues --    0.89592   0.90560   0.90681   0.91684   0.93031
 Alpha virt. eigenvalues --    0.94291   0.95160   0.95226   0.96074   0.97346
 Alpha virt. eigenvalues --    0.98862   1.00658   1.01511   1.03394   1.05119
 Alpha virt. eigenvalues --    1.07446   1.08639   1.08731   1.11402   1.12103
 Alpha virt. eigenvalues --    1.12669   1.14351   1.15824   1.16809   1.18049
 Alpha virt. eigenvalues --    1.18949   1.20116   1.22279   1.23384   1.24762
 Alpha virt. eigenvalues --    1.25999   1.26691   1.28496   1.29229   1.30561
 Alpha virt. eigenvalues --    1.35144   1.36430   1.38042   1.38777   1.41356
 Alpha virt. eigenvalues --    1.42614   1.44011   1.46460   1.47430   1.49100
 Alpha virt. eigenvalues --    1.50329   1.53925   1.57144   1.58756   1.60787
 Alpha virt. eigenvalues --    1.61700   1.63594   1.64984   1.65561   1.67446
 Alpha virt. eigenvalues --    1.68034   1.68886   1.71010   1.72547   1.73123
 Alpha virt. eigenvalues --    1.75221   1.76311   1.78586   1.81328   1.83074
 Alpha virt. eigenvalues --    1.84460   1.85673   1.86949   1.88207   1.92352
 Alpha virt. eigenvalues --    1.93453   1.94226   1.94827   1.95879   1.97962
 Alpha virt. eigenvalues --    1.99919   2.01516   2.03204   2.03739   2.04804
 Alpha virt. eigenvalues --    2.06522   2.07100   2.07681   2.08786   2.10078
 Alpha virt. eigenvalues --    2.10992   2.11236   2.14023   2.14276   2.14639
 Alpha virt. eigenvalues --    2.16024   2.18123   2.19908   2.20522   2.21607
 Alpha virt. eigenvalues --    2.21741   2.23343   2.26245   2.27495   2.28982
 Alpha virt. eigenvalues --    2.29119   2.30999   2.31831   2.32241   2.34267
 Alpha virt. eigenvalues --    2.35858   2.36603   2.37166   2.39552   2.40573
 Alpha virt. eigenvalues --    2.41075   2.42343   2.43658   2.44432   2.44852
 Alpha virt. eigenvalues --    2.46251   2.47692   2.48571   2.51319   2.52207
 Alpha virt. eigenvalues --    2.53738   2.56092   2.58474   2.60414   2.64686
 Alpha virt. eigenvalues --    2.65565   2.67993   2.68592   2.73618   2.75839
 Alpha virt. eigenvalues --    2.78962   2.81084   2.89770   2.97529   3.00320
 Alpha virt. eigenvalues --    3.02012   3.07225   3.08881   3.11428   3.11658
 Alpha virt. eigenvalues --    3.12512   3.14009   3.15985   3.16410   3.17577
 Alpha virt. eigenvalues --    3.17741   3.18510   3.19550   3.22322   3.23183
 Alpha virt. eigenvalues --    3.26606   3.27431   3.28558   3.29977   3.30984
 Alpha virt. eigenvalues --    3.33689   3.35215   3.38879   3.39814   3.57382
 Alpha virt. eigenvalues --    3.61932   3.63634   3.67920   3.69198   3.77301
 Alpha virt. eigenvalues --    3.87711   4.02010   4.05148   4.06641   4.07125
 Alpha virt. eigenvalues --    4.09550
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    6.472157  -0.117625  -0.302511  -0.257075   0.031857  -0.141175
     2  C   -0.117625   6.067723  -0.182671   0.000361  -0.071281  -0.208084
     3  C   -0.302511  -0.182671   6.404768   0.150830  -0.104307  -0.025711
     4  C   -0.257075   0.000361   0.150830   6.073488  -0.412398   0.148591
     5  O    0.031857  -0.071281  -0.104307  -0.412398   9.893186  -0.549822
     6  C   -0.141175  -0.208084  -0.025711   0.148591  -0.549822   5.831633
     7  O   -0.054129  -0.101098  -0.166328   0.038344   0.021422   0.016207
     8  H    0.363816  -0.027694   0.010165  -0.089101   0.041164  -0.048992
     9  O   -0.120123   0.021541  -0.004296  -0.000353   0.044903  -0.089551
    10  H    0.100501   0.362093  -0.076804  -0.009618  -0.068476   0.070289
    11  H   -0.021466  -0.006167   0.290825  -0.000217  -0.129671   0.016770
    12  O   -0.086810   0.017970  -0.215965  -0.093826   0.048759  -0.009223
    13  C    0.039693  -0.014720  -0.174538   0.234849   0.004467   0.010651
    14  H   -0.087901   0.035207   0.135008   0.307569  -0.163770   0.010734
    15  O    0.046092  -0.088483  -0.002521  -0.082476   0.017409  -0.193173
    16  H   -0.068700   0.166851  -0.002834   0.055578  -0.060968   0.430020
    17  H    0.044658  -0.029008   0.064394   0.003207  -0.004497   0.008446
    18  H    0.038553   0.033690   0.004619   0.002204   0.006793  -0.017280
    19  H   -0.027658   0.004937   0.138751   0.025181   0.001677  -0.000244
    20  O    0.002446  -0.002315  -0.128315  -0.033525  -0.029108  -0.009534
    21  H    0.017337  -0.000903  -0.069923   0.036193   0.023516  -0.000301
    22  H   -0.000434  -0.000221   0.054959   0.073993  -0.007269   0.006564
    23  H   -0.001334   0.039515  -0.000048   0.007906   0.001879   0.057881
    24  H    0.003845  -0.000496  -0.012230  -0.006422   0.057939   0.000035
               7          8          9         10         11         12
     1  C   -0.054129   0.363816  -0.120123   0.100501  -0.021466  -0.086810
     2  C   -0.101098  -0.027694   0.021541   0.362093  -0.006167   0.017970
     3  C   -0.166328   0.010165  -0.004296  -0.076804   0.290825  -0.215965
     4  C    0.038344  -0.089101  -0.000353  -0.009618  -0.000217  -0.093826
     5  O    0.021422   0.041164   0.044903  -0.068476  -0.129671   0.048759
     6  C    0.016207  -0.048992  -0.089551   0.070289   0.016770  -0.009223
     7  O    8.335922  -0.030229   0.042992  -0.056398  -0.090166   0.066013
     8  H   -0.030229   0.833953  -0.048435   0.027985   0.033804  -0.043513
     9  O    0.042992  -0.048435   8.255711  -0.020198  -0.004055   0.008714
    10  H   -0.056398   0.027985  -0.020198   0.838338  -0.026184  -0.000047
    11  H   -0.090166   0.033804  -0.004055  -0.026184   1.143601  -0.058711
    12  O    0.066013  -0.043513   0.008714  -0.000047  -0.058711   8.443298
    13  C    0.007444   0.005460   0.000853   0.005762  -0.047157   0.028350
    14  H    0.008987  -0.033602  -0.000563  -0.003058   0.053029  -0.032253
    15  O    0.003529   0.010111   0.028446  -0.059652  -0.000665   0.001423
    16  H    0.002252  -0.034431  -0.051538   0.013444  -0.003299  -0.001125
    17  H    0.198476   0.001287   0.003461  -0.004783   0.006014  -0.001482
    18  H    0.001599   0.003657   0.212114  -0.013323  -0.000192  -0.000454
    19  H    0.001412   0.000163   0.001012   0.000480  -0.025005   0.146798
    20  O    0.004589   0.002527   0.000834   0.002935   0.010071   0.022421
    21  H    0.000773   0.001397   0.000032   0.000109  -0.000795   0.019825
    22  H   -0.000530   0.000105  -0.000091  -0.000135   0.004569  -0.002954
    23  H    0.000086  -0.000160   0.002623   0.003683   0.000318   0.000284
    24  H   -0.000265  -0.000129   0.000103   0.000819  -0.007311  -0.002698
              13         14         15         16         17         18
     1  C    0.039693  -0.087901   0.046092  -0.068700   0.044658   0.038553
     2  C   -0.014720   0.035207  -0.088483   0.166851  -0.029008   0.033690
     3  C   -0.174538   0.135008  -0.002521  -0.002834   0.064394   0.004619
     4  C    0.234849   0.307569  -0.082476   0.055578   0.003207   0.002204
     5  O    0.004467  -0.163770   0.017409  -0.060968  -0.004497   0.006793
     6  C    0.010651   0.010734  -0.193173   0.430020   0.008446  -0.017280
     7  O    0.007444   0.008987   0.003529   0.002252   0.198476   0.001599
     8  H    0.005460  -0.033602   0.010111  -0.034431   0.001287   0.003657
     9  O    0.000853  -0.000563   0.028446  -0.051538   0.003461   0.212114
    10  H    0.005762  -0.003058  -0.059652   0.013444  -0.004783  -0.013323
    11  H   -0.047157   0.053029  -0.000665  -0.003299   0.006014  -0.000192
    12  O    0.028350  -0.032253   0.001423  -0.001125  -0.001482  -0.000454
    13  C    4.281150  -0.123032   0.000609   0.003223  -0.000255   0.000003
    14  H   -0.123032   1.046078  -0.015706   0.014271  -0.000217   0.000156
    15  O    0.000609  -0.015706   8.597586  -0.101480   0.000531  -0.007735
    16  H    0.003223   0.014271  -0.101480   0.882322   0.000502   0.004273
    17  H   -0.000255  -0.000217   0.000531   0.000502   0.559805  -0.000338
    18  H    0.000003   0.000156  -0.007735   0.004273  -0.000338   0.565341
    19  H    0.000179  -0.001916  -0.000014   0.000075  -0.001572   0.000009
    20  O    0.153378  -0.006599   0.003576  -0.001673  -0.000265  -0.000016
    21  H    0.258789   0.003299   0.000311  -0.000387  -0.000014  -0.000002
    22  H    0.231918  -0.000535  -0.002103  -0.000861   0.000001   0.000001
    23  H   -0.000913   0.002104   0.120627  -0.011940  -0.000004   0.000375
    24  H    0.031920   0.004033  -0.002152  -0.000933  -0.000001  -0.000018
              19         20         21         22         23         24
     1  C   -0.027658   0.002446   0.017337  -0.000434  -0.001334   0.003845
     2  C    0.004937  -0.002315  -0.000903  -0.000221   0.039515  -0.000496
     3  C    0.138751  -0.128315  -0.069923   0.054959  -0.000048  -0.012230
     4  C    0.025181  -0.033525   0.036193   0.073993   0.007906  -0.006422
     5  O    0.001677  -0.029108   0.023516  -0.007269   0.001879   0.057939
     6  C   -0.000244  -0.009534  -0.000301   0.006564   0.057881   0.000035
     7  O    0.001412   0.004589   0.000773  -0.000530   0.000086  -0.000265
     8  H    0.000163   0.002527   0.001397   0.000105  -0.000160  -0.000129
     9  O    0.001012   0.000834   0.000032  -0.000091   0.002623   0.000103
    10  H    0.000480   0.002935   0.000109  -0.000135   0.003683   0.000819
    11  H   -0.025005   0.010071  -0.000795   0.004569   0.000318  -0.007311
    12  O    0.146798   0.022421   0.019825  -0.002954   0.000284  -0.002698
    13  C    0.000179   0.153378   0.258789   0.231918  -0.000913   0.031920
    14  H   -0.001916  -0.006599   0.003299  -0.000535   0.002104   0.004033
    15  O   -0.000014   0.003576   0.000311  -0.002103   0.120627  -0.002152
    16  H    0.000075  -0.001673  -0.000387  -0.000861  -0.011940  -0.000933
    17  H   -0.001572  -0.000265  -0.000014   0.000001  -0.000004  -0.000001
    18  H    0.000009  -0.000016  -0.000002   0.000001   0.000375  -0.000018
    19  H    0.596537  -0.001860  -0.002492  -0.000117  -0.000007   0.000154
    20  O   -0.001860   8.312898   0.010500   0.007555  -0.000626   0.200645
    21  H   -0.002492   0.010500   0.836221  -0.063737   0.000026   0.003496
    22  H   -0.000117   0.007555  -0.063737   0.757228   0.000218  -0.016159
    23  H   -0.000007  -0.000626   0.000026   0.000218   0.613024   0.000323
    24  H    0.000154   0.200645   0.003496  -0.016159   0.000323   0.504184
 Mulliken charges:
               1
     1  C    0.125985
     2  C    0.100879
     3  C    0.214683
     4  C   -0.173282
     5  O   -0.593405
     6  C    0.685268
     7  O   -0.250902
     8  H    0.020692
     9  O   -0.284137
    10  H   -0.087763
    11  H   -0.137938
    12  O   -0.254794
    13  C    1.061917
    14  H   -0.151322
    15  O   -0.274089
    16  H   -0.232643
    17  H    0.151656
    18  H    0.165970
    19  H    0.143519
    20  O   -0.520538
    21  H   -0.073271
    22  H   -0.041966
    23  H    0.164163
    24  H    0.241319
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    0.146677
     2  C    0.013116
     3  C    0.076745
     4  C   -0.324604
     5  O   -0.593405
     6  C    0.452625
     7  O   -0.099246
     9  O   -0.118167
    12  O   -0.111276
    13  C    0.946680
    15  O   -0.109927
    20  O   -0.279219
 Electronic spatial extent (au):  <R**2>=           2112.7112
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=             -2.4131    Y=             -1.9652    Z=             -1.7373  Tot=              3.5641
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -76.8572   YY=            -66.3070   ZZ=            -71.8742
   XY=              0.4234   XZ=             -3.7137   YZ=              3.3161
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -5.1778   YY=              5.3725   ZZ=             -0.1947
   XY=              0.4234   XZ=             -3.7137   YZ=              3.3161
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=            -40.8524  YYY=            -17.0931  ZZZ=              2.4217  XYY=            -10.2550
  XXY=             -3.1120  XXZ=             -6.7721  XZZ=             -6.6313  YZZ=             -8.1463
  YYZ=             -6.3189  XYZ=              0.7198
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -1442.7063 YYYY=           -778.3596 ZZZZ=           -206.9568 XXXY=             22.7240
 XXXZ=            -84.1266 YYYX=             19.1877 YYYZ=             23.9796 ZZZX=              3.0349
 ZZZY=             -3.4561 XXYY=           -367.1049 XXZZ=           -289.2153 YYZZ=           -193.1247
 XXYZ=             16.6152 YYXZ=             26.4900 ZZXY=             -2.4492
 N-N= 8.322360857610D+02 E-N=-3.272955843024D+03  KE= 6.800713935950D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Mon Sep 27 12:03:42 2021, MaxMem=  6442450944 cpu:               2.7 elap:               0.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        =-9.50149552D-01-7.53181633D-01-6.16387396D-01
 Polarizability= 1.02930924D+02 1.59990274D+00 9.62713087D+01
                -2.38552572D+00 4.73169925D-01 7.96383503D+01
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 2      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 3     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 4     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 5     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 6      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        0.8800    0.8791        0.5688    0.5695
 2     -0.8800   -0.8791       -0.0394   -0.0388       -3.2749   -3.2746
 3     -0.5688   -0.5695       11.3418   11.3389        0.0396    0.0388
 4      0.0394    0.0388        0.0000    0.0000       -0.5688   -0.5695
 5     -8.0669   -8.0643        0.5688    0.5695        0.8803    0.8791
 6     -0.0396   -0.0388       -0.8803   -0.8791        0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -2.6373   -2.6373        1.7086    1.7086
 2      0.1164    0.1164       -0.0000    0.0000        1.7086    1.7086
 3      0.1164    0.1164       -2.6373   -2.6373        0.0000    0.0000
 4     -2.6373   -2.6373       -0.1164   -0.1164       -9.8238   -9.8238
 5     -1.7086   -1.7086       34.0168   34.0168        0.1164    0.1164
 6    -24.1930  -24.1930        1.7086    1.7086        2.6373    2.6373
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0403    0.0000       -2.7486   -3.5163       -2.2182   -2.2782
 2      3.2312    3.5163        0.1836    0.1552       13.2072   13.0984
 3      2.2019    2.2782      -45.1466  -45.3557        0.0426   -0.1552
 4      0.0056   -0.1552        0.2043    0.0000        2.1057    2.2782
 5     32.4847   32.2573       -2.2813   -2.2782       -3.6768   -3.5163
 6      0.3908    0.1552        3.8585    3.5163       -0.0645    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.1217    0.0000        1.5378    1.3836       -2.6584   -2.7479
 2     -1.4321   -1.3836        6.4639    6.3329       10.7489   10.7922
 3      3.0360    2.7479       -0.7263   -0.1554       -5.7734   -6.3329
 4     -6.2445   -6.3329       -0.2284    0.0000        2.7101    2.7479
 5    -10.7743  -10.6368       -2.4787   -2.7479        1.2501    1.3836
 6      6.0840    6.3329       -1.3469   -1.3836       -0.0502    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1    -24.3585  -24.1649        8.3282    8.5679        1.3012    1.4190
 2    -36.6078  -36.7268       14.2912   14.5534        1.4190    1.4190
 3    -36.7317  -36.7268        8.0709    8.5679        2.5799    2.7015
 4     -5.9877   -5.9855       12.6455   12.5619        7.9270    7.9961
 5      1.6534    1.2824        2.1357    2.7233      -12.2901  -12.5619
 6    -10.6627  -10.7194       -1.0475   -1.2824        5.2876    5.9855
 Full mass-weighted force constant matrix:
 Low frequencies ---   -4.2536    0.0009    0.0011    0.0011    1.5940    6.0913
 Low frequencies ---   71.0075   91.9562  118.6735
 Diagonal vibrational polarizability:
       79.5016150      49.8743605      62.4433998
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   19436.35
                      1                      2                      3
                      A                      A                      A
 Frequencies --     71.0072                91.9561               118.6734
 Red. masses --      6.1497                 5.4982                 6.6892
 Frc consts  --      0.0183                 0.0274                 0.0555
 IR Inten    --      1.0587                 2.4853                 2.4488
 RamAct Fr= 1--      0.0571                 0.1941                 0.0455
  Dep-P Fr= 1--      0.6308                 0.7414                 0.7458
  Dep-U Fr= 1--      0.7736                 0.8515                 0.8544
 Alpha2 Fr= 1--      0.0001                 0.0000                 0.0000
 Beta2  Fr= 1--      0.0074                 0.0275                 0.0065
 AlphaG Fr= 1--     -0.0000                -0.0000                 0.0000
 Gamma2 Fr= 1--     -0.0045                 0.0650                 0.0498
 Delta2 Fr= 1--     -0.0059                -0.0166                 0.0285
 Raman1 Fr= 1--       0.228                  0.776                  0.182
 ROA1   Fr= 1--      -0.623                  5.705                  5.695
 CID1   Fr= 1--      -2.727                  7.350                 31.308
 Raman2 Fr= 1--       0.088                  0.330                  0.078
 ROA2   Fr= 1--      -0.062                  1.692                  0.967
 CID2   Fr= 1--      -0.700                  5.119                 12.449
 Raman3 Fr= 1--       0.177                  0.661                  0.155
 ROA3   Fr= 1--      -0.623                  5.705                  5.695
 CID3   Fr= 1--      -3.525                  8.631                 36.643
 RC180  Fr= 1--       0.547                  0.703                  0.709
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00   0.01     0.01  -0.01   0.07    -0.01   0.04   0.09
     2   6     0.07  -0.02   0.07    -0.04  -0.02  -0.02    -0.04   0.01  -0.05
     3   6     0.02   0.03  -0.11     0.02  -0.05  -0.02     0.01   0.08  -0.06
     4   6     0.05   0.00  -0.04    -0.03  -0.09   0.03     0.01   0.04   0.01
     5   8     0.01  -0.00  -0.11    -0.05  -0.04   0.11     0.04   0.06   0.09
     6   6     0.01   0.04  -0.08    -0.02  -0.00  -0.02     0.05  -0.01   0.05
     7   8     0.05  -0.01   0.05     0.09  -0.06   0.21     0.04  -0.06   0.30
     8   1    -0.10  -0.01   0.03    -0.04   0.10   0.10    -0.08   0.20   0.12
     9   8     0.03  -0.02   0.28    -0.02   0.04  -0.10     0.01  -0.00  -0.29
    10   1     0.23  -0.08   0.04    -0.11  -0.06  -0.01    -0.21   0.01  -0.03
    11   1     0.10   0.14  -0.12     0.08   0.00  -0.03     0.14   0.19  -0.08
    12   8    -0.04  -0.00  -0.27     0.01  -0.10  -0.12    -0.10   0.05  -0.27
    13   6     0.01  -0.00   0.17    -0.01  -0.05  -0.02     0.01   0.03   0.03
    14   1     0.18  -0.01  -0.05    -0.07  -0.16   0.03    -0.00  -0.02   0.01
    15   8     0.01  -0.01  -0.19    -0.12  -0.01  -0.15     0.09   0.00   0.12
    16   1    -0.01   0.16  -0.07     0.10   0.06  -0.03     0.07  -0.09   0.04
    17   1     0.03  -0.05   0.17     0.10   0.04   0.19     0.05   0.06   0.23
    18   1     0.10  -0.08   0.25    -0.06   0.03  -0.18    -0.05   0.04  -0.28
    19   1     0.03   0.02  -0.24     0.12  -0.07  -0.06     0.01   0.07  -0.20
    20   8    -0.21   0.01   0.20     0.14   0.34   0.02    -0.09  -0.22  -0.00
    21   1     0.05  -0.01   0.25    -0.02  -0.14  -0.32     0.01   0.09   0.21
    22   1     0.09  -0.01   0.23    -0.10  -0.22   0.19     0.06   0.14  -0.11
    23   1    -0.02   0.04  -0.28    -0.08   0.01  -0.15     0.14  -0.02   0.19
    24   1    -0.27   0.02   0.11     0.28   0.32   0.28    -0.21  -0.17  -0.15
                      4                      5                      6
                      A                      A                      A
 Frequencies --    140.5943               231.3316               241.7153
 Red. masses --      6.3874                 2.9487                 2.9404
 Frc consts  --      0.0744                 0.0930                 0.1012
 IR Inten    --      0.7573                19.8499                 5.8194
 RamAct Fr= 1--      0.0662                 0.2804                 0.3852
  Dep-P Fr= 1--      0.6009                 0.4190                 0.7458
  Dep-U Fr= 1--      0.7507                 0.5905                 0.8544
 Alpha2 Fr= 1--      0.0002                 0.0019                 0.0000
 Beta2  Fr= 1--      0.0083                 0.0276                 0.0549
 AlphaG Fr= 1--     -0.0001                -0.0042                 0.0004
 Gamma2 Fr= 1--      0.0063                 0.0068                -0.0366
 Delta2 Fr= 1--     -0.0143                 0.0443                -0.0535
 Raman1 Fr= 1--       0.265                  1.121                  1.541
 ROA1   Fr= 1--       0.144                  2.074                 -5.221
 CID1   Fr= 1--       0.543                  1.850                 -3.388
 Raman2 Fr= 1--       0.099                  0.331                  0.658
 ROA2   Fr= 1--       0.265                 -0.191                 -0.450
 CID2   Fr= 1--       2.668                 -0.577                 -0.683
 Raman3 Fr= 1--       0.199                  0.662                  1.317
 ROA3   Fr= 1--       0.144                  2.074                 -5.221
 CID3   Fr= 1--       0.723                  3.132                 -3.966
 RC180  Fr= 1--       0.501                  0.181                  0.709
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03  -0.00   0.02    -0.02   0.01   0.01    -0.03   0.08  -0.04
     2   6    -0.02   0.00   0.07    -0.03   0.01   0.05     0.06   0.03  -0.06
     3   6    -0.01   0.07   0.05    -0.03  -0.04  -0.02    -0.02   0.02  -0.01
     4   6     0.00   0.00   0.17    -0.01  -0.02  -0.03    -0.02  -0.00   0.02
     5   8     0.00   0.05   0.28     0.02  -0.02   0.04     0.02  -0.05  -0.02
     6   6     0.04   0.05   0.03     0.03   0.03   0.04     0.02   0.01  -0.02
     7   8    -0.10   0.06  -0.13     0.22   0.12  -0.01    -0.12  -0.01   0.05
     8   1     0.01  -0.11  -0.00    -0.07   0.00   0.02    -0.02   0.13  -0.03
     9   8    -0.02  -0.02   0.08    -0.04  -0.20  -0.02     0.02  -0.14   0.02
    10   1    -0.01  -0.00   0.07    -0.04   0.05   0.05     0.12   0.05  -0.06
    11   1     0.01   0.22   0.05    -0.04  -0.09  -0.02    -0.06   0.04  -0.00
    12   8    -0.08   0.02  -0.13    -0.06   0.01   0.05     0.15  -0.10  -0.04
    13   6     0.04  -0.00   0.01    -0.00   0.05  -0.02     0.01   0.11   0.02
    14   1    -0.07  -0.08   0.17    -0.04  -0.06  -0.03    -0.01   0.00   0.02
    15   8    -0.08  -0.00  -0.26    -0.03   0.03  -0.02    -0.12   0.12   0.06
    16   1     0.27   0.20   0.01     0.04   0.08   0.05     0.03  -0.04  -0.03
    17   1    -0.10  -0.00  -0.16     0.27   0.54  -0.23    -0.14  -0.18   0.18
    18   1     0.01  -0.08  -0.05     0.15  -0.42  -0.29     0.20  -0.30  -0.11
    19   1    -0.13   0.05  -0.26    -0.21  -0.04  -0.01     0.44  -0.02   0.09
    20   8     0.23  -0.22  -0.06    -0.06   0.01  -0.02     0.02  -0.01  -0.01
    21   1    -0.01   0.05   0.05    -0.04   0.09   0.04    -0.10   0.22   0.12
    22   1    -0.00   0.10  -0.16     0.07   0.08  -0.04     0.13   0.22  -0.07
    23   1    -0.01   0.07  -0.34    -0.16   0.06  -0.13    -0.45   0.08  -0.05
    24   1     0.24  -0.22  -0.06    -0.08   0.01  -0.06     0.11  -0.13  -0.09
                      7                      8                      9
                      A                      A                      A
 Frequencies --    253.1725               267.2265               285.6060
 Red. masses --      3.9731                 2.4207                 1.8791
 Frc consts  --      0.1500                 0.1018                 0.0903
 IR Inten    --      2.6964                 4.1559                68.1916
 RamAct Fr= 1--      0.7133                 0.1558                 0.7462
  Dep-P Fr= 1--      0.2267                 0.3265                 0.4607
  Dep-U Fr= 1--      0.3696                 0.4923                 0.6308
 Alpha2 Fr= 1--      0.0090                 0.0015                 0.0044
 Beta2  Fr= 1--      0.0439                 0.0128                 0.0784
 AlphaG Fr= 1--     -0.0007                 0.0029                 0.0097
 Gamma2 Fr= 1--     -0.1093                 0.0394                -0.1670
 Delta2 Fr= 1--      0.0133                 0.0522                 0.0160
 Raman1 Fr= 1--       2.853                  0.623                  2.985
 ROA1   Fr= 1--     -10.070                  5.453                -15.521
 CID1   Fr= 1--      -3.530                  8.748                 -5.200
 Raman2 Fr= 1--       0.527                  0.153                  0.941
 ROA2   Fr= 1--      -2.730                  0.527                 -4.136
 CID2   Fr= 1--      -5.178                  3.438                 -4.394
 Raman3 Fr= 1--       1.055                  0.307                  1.883
 ROA3   Fr= 1--     -10.070                  5.453                -15.521
 CID3   Fr= 1--      -9.549                 17.772                 -8.244
 RC180  Fr= 1--      -0.261                 -0.015                  0.262
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.04   0.02     0.02  -0.04   0.02    -0.06   0.04  -0.05
     2   6    -0.03   0.00  -0.00    -0.01  -0.02   0.03    -0.07   0.02  -0.05
     3   6    -0.03  -0.03   0.02    -0.02  -0.06   0.01    -0.05  -0.01  -0.04
     4   6     0.06  -0.01   0.03    -0.04  -0.03   0.00    -0.00  -0.00   0.01
     5   8    -0.02  -0.07  -0.22     0.01  -0.05   0.04    -0.03   0.03  -0.01
     6   6    -0.07   0.00  -0.05    -0.01  -0.05   0.03    -0.03   0.02  -0.04
     7   8     0.05  -0.00   0.00     0.06  -0.01  -0.02     0.04   0.04   0.03
     8   1     0.01  -0.04   0.02     0.01  -0.07   0.01    -0.08   0.10  -0.04
     9   8    -0.02   0.04  -0.02     0.02   0.13  -0.01    -0.11  -0.03   0.05
    10   1    -0.05  -0.04  -0.01    -0.05  -0.02   0.03    -0.01   0.03  -0.06
    11   1    -0.01   0.02   0.02    -0.00  -0.07   0.01    -0.11  -0.01  -0.02
    12   8    -0.17   0.03  -0.04     0.02  -0.09  -0.00     0.05  -0.07  -0.01
    13   6     0.08   0.04   0.11     0.01   0.23   0.00     0.01   0.02   0.04
    14   1     0.23   0.11   0.03    -0.08  -0.05   0.00     0.05  -0.02   0.00
    15   8    -0.07   0.06   0.09    -0.01  -0.07  -0.03     0.06  -0.01  -0.02
    16   1    -0.21  -0.02  -0.03     0.02  -0.02   0.03    -0.01  -0.01  -0.05
    17   1     0.07   0.11  -0.07     0.06   0.03  -0.04     0.05   0.14   0.05
    18   1    -0.05   0.05  -0.03    -0.13   0.29   0.15    -0.06  -0.02   0.15
    19   1    -0.37  -0.02  -0.15    -0.01  -0.07  -0.08     0.25  -0.04   0.13
    20   8     0.23  -0.04   0.09    -0.06   0.02  -0.02     0.07  -0.03   0.02
    21   1    -0.00   0.12   0.15    -0.22   0.47   0.22    -0.03   0.05   0.06
    22   1     0.16   0.12   0.04     0.33   0.44  -0.14     0.03   0.05   0.00
    23   1    -0.33   0.03   0.00     0.01  -0.04  -0.06     0.72  -0.09   0.44
    24   1     0.48  -0.27   0.07     0.06  -0.16  -0.21     0.14  -0.09   0.03
                     10                     11                     12
                      A                      A                      A
 Frequencies --    300.0200               333.9123               367.6705
 Red. masses --      3.6516                 1.4431                 1.2650
 Frc consts  --      0.1937                 0.0948                 0.1008
 IR Inten    --     10.0981                32.2038                88.7901
 RamAct Fr= 1--      0.3652                 2.0134                 0.9607
  Dep-P Fr= 1--      0.6679                 0.3134                 0.6947
  Dep-U Fr= 1--      0.8009                 0.4773                 0.8199
 Alpha2 Fr= 1--      0.0005                 0.0198                 0.0009
 Beta2  Fr= 1--      0.0487                 0.1602                 0.1313
 AlphaG Fr= 1--     -0.0026                -0.0210                 0.0004
 Gamma2 Fr= 1--      0.1060                 0.1656                 0.1336
 Delta2 Fr= 1--      0.1129                 0.3693                -0.1778
 Raman1 Fr= 1--       1.461                  8.054                  3.843
 ROA1   Fr= 1--      13.791                 27.711                  7.140
 CID1   Fr= 1--       9.440                  3.441                  1.858
 Raman2 Fr= 1--       0.585                  1.922                  1.575
 ROA2   Fr= 1--       1.642                  1.019                  4.630
 CID2   Fr= 1--       2.807                  0.530                  2.939
 Raman3 Fr= 1--       1.170                  3.844                  3.151
 ROA3   Fr= 1--      13.791                 27.711                  7.140
 CID3   Fr= 1--      11.788                  7.210                  2.266
 RC180  Fr= 1--       0.602                 -0.045                  0.640
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.03  -0.17     0.03  -0.02   0.04    -0.00  -0.04   0.01
     2   6     0.03  -0.00  -0.15     0.05  -0.00   0.02    -0.02   0.00   0.06
     3   6    -0.02  -0.02  -0.14     0.02  -0.01   0.04     0.00  -0.03  -0.02
     4   6     0.04  -0.04  -0.05    -0.00  -0.01   0.00     0.02  -0.01  -0.03
     5   8     0.01   0.02   0.16     0.01  -0.05  -0.01     0.00   0.01  -0.00
     6   6     0.02  -0.04  -0.05     0.02   0.02  -0.01    -0.01   0.03   0.04
     7   8     0.09  -0.13   0.04    -0.03  -0.01  -0.01     0.02   0.00  -0.05
     8   1    -0.05   0.10  -0.14     0.05  -0.04   0.03    -0.02  -0.09   0.01
     9   8    -0.01   0.02   0.07     0.06   0.01   0.01    -0.01   0.04  -0.00
    10   1     0.17   0.03  -0.16     0.04  -0.04   0.01    -0.06   0.00   0.06
    11   1    -0.13  -0.11  -0.12     0.05  -0.01   0.03     0.04  -0.05  -0.03
    12   8    -0.08   0.14   0.09    -0.02  -0.01   0.00    -0.06   0.01  -0.02
    13   6     0.06   0.02   0.01    -0.00   0.01  -0.02     0.03   0.00   0.00
    14   1     0.03  -0.23  -0.06    -0.04   0.01   0.01     0.03  -0.04  -0.03
    15   8    -0.12   0.07   0.01    -0.08   0.08  -0.02    -0.00   0.01  -0.00
    16   1     0.18  -0.17  -0.08     0.04   0.04  -0.02    -0.02   0.07   0.04
    17   1     0.05  -0.26   0.40    -0.04  -0.07  -0.03    -0.04  -0.26   0.34
    18   1     0.00   0.11   0.33     0.10  -0.15  -0.35     0.03  -0.16  -0.47
    19   1    -0.28   0.02   0.16    -0.29  -0.01  -0.28     0.42  -0.02   0.58
    20   8     0.00  -0.02   0.00    -0.03   0.01  -0.01    -0.00  -0.00   0.00
    21   1     0.01   0.08   0.06    -0.02   0.03  -0.00     0.01   0.02   0.02
    22   1     0.15   0.07  -0.01     0.02   0.02  -0.02     0.07   0.02   0.00
    23   1    -0.10  -0.04   0.19     0.56  -0.07   0.54     0.07   0.02   0.02
    24   1    -0.08   0.04  -0.02    -0.05   0.02  -0.02     0.01  -0.02  -0.02
                     13                     14                     15
                      A                      A                      A
 Frequencies --    380.8914               385.3337               406.5894
 Red. masses --      1.2778                 1.5244                 1.7773
 Frc consts  --      0.1092                 0.1334                 0.1731
 IR Inten    --     69.7508               140.9349               115.4456
 RamAct Fr= 1--      1.0552                 0.7313                 2.4128
  Dep-P Fr= 1--      0.6750                 0.5480                 0.7415
  Dep-U Fr= 1--      0.8060                 0.7080                 0.8516
 Alpha2 Fr= 1--      0.0014                 0.0028                 0.0003
 Beta2  Fr= 1--      0.1417                 0.0863                 0.3424
 AlphaG Fr= 1--     -0.0008                -0.0046                 0.0002
 Gamma2 Fr= 1--     -0.1963                 0.0521                -0.3852
 Delta2 Fr= 1--     -0.0074                -0.1044                -0.3373
 Raman1 Fr= 1--       4.221                  2.925                  9.651
 ROA1   Fr= 1--     -19.078                  1.661                -47.772
 CID1   Fr= 1--      -4.520                  0.568                 -4.950
 Raman2 Fr= 1--       1.701                  1.036                  4.109
 ROA2   Fr= 1--      -4.651                  2.085                 -6.546
 CID2   Fr= 1--      -2.735                  2.014                 -1.593
 Raman3 Fr= 1--       3.402                  2.071                  8.219
 ROA3   Fr= 1--     -19.078                  1.661                -47.772
 CID3   Fr= 1--      -5.608                  0.802                 -5.813
 RC180  Fr= 1--       0.612                  0.416                  0.703
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.02   0.01     0.00  -0.00   0.04     0.04   0.03  -0.00
     2   6    -0.01   0.02   0.02     0.02   0.01   0.04     0.06  -0.02  -0.03
     3   6    -0.02  -0.03   0.01    -0.00  -0.02   0.02     0.01   0.06   0.03
     4   6    -0.00  -0.01  -0.00     0.02  -0.02  -0.01    -0.07   0.02   0.04
     5   8     0.01  -0.01  -0.01     0.04  -0.04  -0.01    -0.04  -0.02   0.01
     6   6     0.02   0.03   0.02     0.03   0.03   0.02    -0.01  -0.06  -0.02
     7   8     0.02   0.07  -0.03    -0.02   0.02  -0.01     0.05   0.05  -0.02
     8   1    -0.04  -0.01   0.01     0.02  -0.03   0.04     0.06   0.04  -0.01
     9   8    -0.01  -0.03  -0.05     0.04  -0.06  -0.07     0.06  -0.03  -0.01
    10   1    -0.05   0.03   0.03    -0.03   0.01   0.04     0.08  -0.04  -0.04
    11   1    -0.03  -0.03   0.01     0.05  -0.02   0.01     0.03   0.09   0.02
    12   8     0.00  -0.04   0.02    -0.07  -0.00  -0.02    -0.01   0.08  -0.02
    13   6    -0.00  -0.01  -0.00     0.02  -0.01  -0.01    -0.09  -0.02   0.01
    14   1    -0.00   0.00  -0.00    -0.00  -0.01  -0.00    -0.09   0.03   0.04
    15   8     0.04   0.02  -0.01    -0.05   0.07  -0.03    -0.03  -0.07  -0.00
    16   1     0.00   0.07   0.02     0.03   0.09   0.02    -0.02  -0.09  -0.03
    17   1    -0.08  -0.43   0.73    -0.01   0.06  -0.14     0.03  -0.05   0.17
    18   1    -0.04   0.07   0.19    -0.09   0.33   0.74     0.06   0.01   0.09
    19   1    -0.27  -0.02  -0.34     0.25  -0.02   0.37     0.10   0.07   0.15
    20   8    -0.00   0.00   0.00    -0.01   0.00  -0.01    -0.04   0.03   0.01
    21   1     0.01  -0.02  -0.01     0.02  -0.02  -0.02    -0.07  -0.05  -0.03
    22   1    -0.02  -0.02   0.01     0.01  -0.02  -0.00    -0.13  -0.04   0.02
    23   1    -0.00   0.05  -0.08     0.14   0.02   0.14     0.09  -0.09   0.09
    24   1     0.01  -0.01   0.00    -0.10   0.08  -0.00     0.61  -0.61  -0.12
                     16                     17                     18
                      A                      A                      A
 Frequencies --    420.6217               427.2696               455.6707
 Red. masses --      2.1974                 3.7149                 5.1156
 Frc consts  --      0.2291                 0.3996                 0.6258
 IR Inten    --     50.4607                19.3997                14.0742
 RamAct Fr= 1--      2.1425                 1.8864                 2.8117
  Dep-P Fr= 1--      0.6962                 0.5928                 0.0673
  Dep-U Fr= 1--      0.8209                 0.7444                 0.1262
 Alpha2 Fr= 1--      0.0020                 0.0055                 0.0533
 Beta2  Fr= 1--      0.2931                 0.2340                 0.0591
 AlphaG Fr= 1--      0.0028                -0.0001                -0.0155
 Gamma2 Fr= 1--     -0.7524                 0.4252                -0.0567
 Delta2 Fr= 1--     -0.2688                 0.3403                 0.0275
 Raman1 Fr= 1--       8.570                  7.545                 11.247
 ROA1   Fr= 1--     -80.831                 51.709                 -4.562
 CID1   Fr= 1--      -9.432                  6.853                 -0.406
 Raman2 Fr= 1--       3.517                  2.808                  0.710
 ROA2   Fr= 1--     -15.908                  7.483                 -1.581
 CID2   Fr= 1--      -4.522                  2.665                 -2.228
 Raman3 Fr= 1--       7.035                  5.617                  1.419
 ROA3   Fr= 1--     -80.831                 51.709                 -4.562
 CID3   Fr= 1--     -11.490                  9.207                 -3.214
 RC180  Fr= 1--       0.642                  0.489                 -0.748
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.06  -0.03   0.03     0.06  -0.12   0.05     0.07  -0.10   0.03
     2   6    -0.01  -0.06  -0.03    -0.09  -0.04   0.11    -0.04  -0.02  -0.15
     3   6     0.05   0.07   0.09     0.14   0.01  -0.04     0.03  -0.08   0.22
     4   6    -0.01   0.08   0.07     0.07   0.04  -0.09     0.01   0.07   0.10
     5   8    -0.05   0.03  -0.03    -0.06   0.15   0.00     0.01   0.13   0.05
     6   6    -0.07  -0.07  -0.04    -0.10   0.08   0.07     0.06   0.07  -0.16
     7   8     0.10   0.01  -0.05    -0.01  -0.13  -0.03     0.07  -0.10  -0.06
     8   1     0.14  -0.06   0.01     0.03  -0.20   0.03     0.34  -0.07  -0.02
     9   8    -0.02  -0.06  -0.00    -0.10  -0.10  -0.05    -0.09   0.00   0.07
    10   1    -0.01  -0.13  -0.04    -0.20  -0.01   0.12     0.03  -0.21  -0.18
    11   1     0.07   0.18   0.09     0.22  -0.05  -0.06     0.07   0.02   0.21
    12   8     0.03   0.04  -0.04     0.14   0.07   0.00    -0.13  -0.18  -0.06
    13   6    -0.02   0.06   0.00     0.07   0.01  -0.00    -0.03  -0.00  -0.05
    14   1    -0.02   0.17   0.09     0.09   0.01  -0.09    -0.09   0.24   0.12
    15   8    -0.09  -0.06   0.01    -0.08   0.03  -0.01     0.12   0.19   0.05
    16   1    -0.09  -0.13  -0.04    -0.15   0.17   0.09     0.16  -0.09  -0.19
    17   1     0.06  -0.14   0.25     0.00  -0.16  -0.12     0.08  -0.09  -0.06
    18   1    -0.02  -0.02   0.08    -0.12   0.01   0.21    -0.00  -0.05   0.06
    19   1     0.15   0.07   0.01    -0.09   0.05  -0.21     0.10  -0.12   0.05
    20   8     0.05  -0.02  -0.02    -0.04   0.03   0.02    -0.10   0.04  -0.04
    21   1    -0.04   0.08   0.01     0.07   0.04   0.06     0.05  -0.07  -0.08
    22   1    -0.04   0.09  -0.05     0.17   0.03   0.02    -0.13  -0.05  -0.03
    23   1     0.01  -0.11   0.14     0.08   0.04   0.06    -0.24   0.11  -0.02
    24   1    -0.52   0.54   0.13     0.39  -0.43  -0.16     0.20  -0.26  -0.15
                     19                     20                     21
                      A                      A                      A
 Frequencies --    517.5716               567.8895               593.2295
 Red. masses --      5.2230                 3.2338                 3.8922
 Frc consts  --      0.8243                 0.6145                 0.8070
 IR Inten    --     34.8829                 3.8377                27.3312
 RamAct Fr= 1--     10.0074                 0.9330                 0.2321
  Dep-P Fr= 1--      0.1098                 0.2959                 0.6707
  Dep-U Fr= 1--      0.1979                 0.4567                 0.8029
 Alpha2 Fr= 1--      0.1710                 0.0097                 0.0003
 Beta2  Fr= 1--      0.3301                 0.0710                 0.0311
 AlphaG Fr= 1--      0.0118                 0.0029                -0.0003
 Gamma2 Fr= 1--      0.1977                 0.1168                 0.1119
 Delta2 Fr= 1--     -0.0185                 0.1030                -0.0072
 Raman1 Fr= 1--      40.030                  3.732                  0.928
 ROA1   Fr= 1--      18.387                 14.513                 10.510
 CID1   Fr= 1--       0.459                  3.889                 11.322
 Raman2 Fr= 1--       3.961                  0.852                  0.373
 ROA2   Fr= 1--       4.894                  1.980                  2.743
 CID2   Fr= 1--       1.236                  2.323                  7.361
 Raman3 Fr= 1--       7.921                  1.704                  0.745
 ROA3   Fr= 1--      18.387                 14.513                 10.510
 CID3   Fr= 1--       2.321                  8.515                 14.101
 RC180  Fr= 1--      -0.604                 -0.087                  0.606
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.08   0.14    -0.13  -0.06  -0.05    -0.08  -0.05   0.16
     2   6    -0.12  -0.03  -0.11    -0.04  -0.07   0.06     0.04  -0.18   0.03
     3   6     0.12  -0.00   0.05    -0.13   0.07  -0.00    -0.05  -0.04  -0.11
     4   6     0.14  -0.07  -0.05     0.06   0.18   0.05    -0.02   0.03  -0.14
     5   8     0.12  -0.11   0.03     0.17   0.00  -0.04    -0.05   0.18   0.06
     6   6     0.05  -0.13  -0.08     0.10  -0.06   0.07     0.01  -0.06  -0.16
     7   8    -0.10   0.22   0.01     0.07  -0.05  -0.01    -0.02   0.14  -0.02
     8   1     0.14   0.14   0.13    -0.30  -0.13  -0.03    -0.29  -0.15   0.18
     9   8    -0.21   0.04   0.06    -0.02   0.06  -0.00     0.14   0.01  -0.01
    10   1    -0.15  -0.23  -0.13    -0.08  -0.03   0.07     0.03  -0.58  -0.02
    11   1     0.29  -0.03   0.01    -0.31   0.17   0.04     0.05  -0.23  -0.13
    12   8     0.01   0.07  -0.03     0.05  -0.05   0.00     0.02  -0.06   0.03
    13   6     0.19  -0.05  -0.06     0.02  -0.01  -0.01    -0.02   0.01   0.04
    14   1     0.04  -0.09  -0.04     0.05   0.25   0.05     0.06  -0.10  -0.16
    15   8    -0.07  -0.05   0.02    -0.13  -0.00  -0.02    -0.02   0.04   0.04
    16   1     0.19  -0.30  -0.11     0.13  -0.04   0.07     0.06  -0.17  -0.17
    17   1    -0.12   0.04   0.04     0.08   0.14   0.10    -0.03   0.12   0.02
    18   1    -0.15  -0.04  -0.05    -0.16   0.13  -0.07    -0.07   0.13  -0.03
    19   1    -0.03   0.04   0.00     0.15   0.05  -0.12     0.00  -0.05  -0.01
    20   8    -0.08   0.04  -0.02    -0.03   0.00  -0.01     0.05  -0.02   0.04
    21   1     0.21  -0.04  -0.01     0.29  -0.24  -0.11     0.01  -0.01   0.05
    22   1     0.27  -0.07   0.01    -0.31  -0.17   0.04    -0.02  -0.00   0.05
    23   1    -0.15  -0.15   0.13    -0.06  -0.08   0.15    -0.16  -0.10   0.17
    24   1     0.04  -0.14  -0.19     0.11  -0.17  -0.11     0.04   0.01   0.09
                     22                     23                     24
                      A                      A                      A
 Frequencies --    630.5132               719.2839               910.3776
 Red. masses --      5.1667                 3.9538                 3.1282
 Frc consts  --      1.2102                 1.2052                 1.5275
 IR Inten    --     32.8417                 2.2993                32.6236
 RamAct Fr= 1--      0.0373                 0.5766                 4.2233
  Dep-P Fr= 1--      0.6315                 0.4031                 0.2986
  Dep-U Fr= 1--      0.7741                 0.5745                 0.4599
 Alpha2 Fr= 1--      0.0001                 0.0042                 0.0435
 Beta2  Fr= 1--      0.0048                 0.0552                 0.3237
 AlphaG Fr= 1--      0.0001                 0.0044                -0.0318
 Gamma2 Fr= 1--      0.0305                 0.1237                -0.2239
 Delta2 Fr= 1--      0.0322                 0.0131                -0.5182
 Raman1 Fr= 1--       0.149                  2.306                 16.893
 ROA1   Fr= 1--       3.955                 12.291                -38.081
 CID1   Fr= 1--      26.544                  5.329                 -2.254
 Raman2 Fr= 1--       0.058                  0.663                  3.885
 ROA2   Fr= 1--       0.473                  2.863                 -1.229
 CID2   Fr= 1--       8.203                  4.321                 -0.316
 Raman3 Fr= 1--       0.115                  1.325                  7.769
 ROA3   Fr= 1--       3.955                 12.291                -38.081
 CID3   Fr= 1--      34.290                  9.275                 -4.901
 RC180  Fr= 1--       0.548                  0.149                 -0.080
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.05   0.10  -0.09    -0.12  -0.03  -0.04    -0.00  -0.03  -0.04
     2   6     0.07   0.11  -0.06     0.01  -0.06   0.05    -0.00  -0.02   0.02
     3   6    -0.01  -0.08   0.07    -0.07   0.07   0.02     0.08  -0.07  -0.07
     4   6     0.11   0.11  -0.06     0.11  -0.08   0.19     0.16  -0.08   0.18
     5   8    -0.04   0.21   0.00    -0.15  -0.05   0.02     0.05   0.11  -0.05
     6   6    -0.10  -0.03   0.09    -0.12   0.05  -0.09     0.05  -0.00   0.01
     7   8    -0.05   0.06   0.05     0.01   0.01   0.01    -0.03   0.06   0.04
     8   1     0.20   0.26  -0.09    -0.32  -0.09  -0.01    -0.12   0.01  -0.01
     9   8     0.11  -0.04  -0.00     0.11  -0.01  -0.02    -0.00   0.00  -0.00
    10   1     0.18   0.36  -0.03     0.08  -0.18   0.02    -0.01   0.02   0.02
    11   1    -0.05  -0.17   0.08    -0.31   0.32   0.08    -0.05   0.06  -0.03
    12   8    -0.14  -0.18   0.01     0.03   0.03   0.00    -0.00  -0.00   0.00
    13   6     0.18  -0.01  -0.02     0.25  -0.06  -0.07    -0.16  -0.06   0.09
    14   1     0.11   0.19  -0.05     0.05  -0.04   0.20     0.62  -0.04   0.13
    15   8    -0.14  -0.20  -0.01     0.07   0.03   0.03    -0.04  -0.03   0.00
    16   1    -0.19  -0.09   0.10    -0.20   0.08  -0.08     0.02  -0.02   0.01
    17   1    -0.05  -0.02  -0.01     0.02   0.15   0.10    -0.04  -0.00  -0.00
    18   1     0.21  -0.08   0.05    -0.02   0.06  -0.04    -0.05   0.02  -0.01
    19   1    -0.07  -0.13  -0.04     0.08   0.07  -0.04    -0.14  -0.12   0.13
    20   8    -0.03   0.02   0.00    -0.09   0.05  -0.07    -0.04   0.03  -0.15
    21   1     0.32  -0.10  -0.01     0.16   0.02  -0.06    -0.49   0.18   0.06
    22   1     0.11  -0.08   0.03     0.36  -0.03  -0.07     0.01   0.14  -0.14
    23   1     0.10  -0.10  -0.04     0.02   0.06  -0.04    -0.04  -0.07   0.06
    24   1     0.01  -0.08  -0.15    -0.07  -0.04  -0.27     0.07   0.06   0.15
                     25                     26                     27
                      A                      A                      A
 Frequencies --    922.4700              1014.3746              1023.7932
 Red. masses --      1.9912                 3.8960                 3.9067
 Frc consts  --      0.9983                 2.3619                 2.4126
 IR Inten    --      5.4616                99.1692                52.4279
 RamAct Fr= 1--      2.1201                 0.5131                 1.4142
  Dep-P Fr= 1--      0.2836                 0.1840                 0.2105
  Dep-U Fr= 1--      0.4419                 0.3107                 0.3478
 Alpha2 Fr= 1--      0.0228                 0.0073                 0.0187
 Beta2  Fr= 1--      0.1561                 0.0266                 0.0820
 AlphaG Fr= 1--     -0.0265                 0.0085                -0.0213
 Gamma2 Fr= 1--     -0.1495                 0.3986                 0.4923
 Delta2 Fr= 1--      0.2422                 0.5503                 0.4238
 Raman1 Fr= 1--       8.480                  2.052                  5.657
 ROA1   Fr= 1--      -6.601                 55.875                 60.824
 CID1   Fr= 1--      -0.778                 27.227                 10.752
 Raman2 Fr= 1--       1.874                  0.319                  0.984
 ROA2   Fr= 1--      -5.526                  5.163                  8.425
 CID2   Fr= 1--      -2.949                 16.193                  8.566
 Raman3 Fr= 1--       3.747                  0.638                  1.967
 ROA3   Fr= 1--      -6.601                 55.875                 60.824
 CID3   Fr= 1--      -1.762                 87.617                 30.918
 RC180  Fr= 1--      -0.116                 -0.379                 -0.304
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.06   0.00  -0.03     0.07   0.10   0.20     0.23   0.05  -0.16
     2   6    -0.01  -0.02  -0.01     0.12   0.17   0.08     0.11  -0.16   0.17
     3   6    -0.02   0.07   0.11    -0.13   0.15  -0.09     0.01   0.09  -0.11
     4   6    -0.05  -0.08  -0.07     0.02  -0.02  -0.01    -0.08  -0.02   0.06
     5   8     0.02   0.08  -0.04    -0.01   0.00   0.01     0.00   0.04  -0.03
     6   6     0.09  -0.02   0.04     0.06   0.01  -0.14    -0.01  -0.08  -0.01
     7   8     0.01  -0.02  -0.01     0.05  -0.11  -0.07    -0.01   0.09   0.08
     8   1    -0.01  -0.01  -0.04    -0.09  -0.10   0.18     0.08   0.11  -0.12
     9   8     0.01   0.01   0.00    -0.11   0.02  -0.04    -0.13  -0.01  -0.03
    10   1     0.00   0.06   0.00    -0.07  -0.04   0.07     0.06  -0.15   0.16
    11   1    -0.06   0.14   0.12    -0.16   0.10  -0.07    -0.29   0.17  -0.04
    12   8    -0.00   0.01  -0.00    -0.05  -0.06   0.06    -0.06  -0.08   0.05
    13   6     0.01  -0.15  -0.06     0.03  -0.05   0.07     0.04  -0.01  -0.07
    14   1    -0.23   0.10  -0.05     0.20  -0.23  -0.05    -0.23   0.01   0.07
    15   8    -0.02  -0.00  -0.01    -0.02  -0.08   0.03     0.03   0.07  -0.03
    16   1     0.10  -0.02   0.04     0.05  -0.06  -0.13    -0.05   0.11   0.02
    17   1     0.02   0.12   0.08     0.05  -0.28  -0.21    -0.03  -0.39  -0.28
    18   1    -0.04   0.03  -0.01     0.36  -0.20   0.17    -0.38   0.10  -0.14
    19   1     0.13   0.11  -0.11     0.22   0.16  -0.20    -0.04  -0.07   0.05
    20   8     0.01   0.01   0.04    -0.02   0.02  -0.08     0.00  -0.00   0.06
    21   1    -0.38   0.23   0.23    -0.03   0.01   0.12     0.01   0.02  -0.06
    22   1     0.61   0.12  -0.13     0.12   0.02  -0.00     0.08  -0.01  -0.04
    23   1    -0.04  -0.04   0.04    -0.11  -0.18   0.13    -0.14  -0.11   0.16
    24   1     0.07   0.05   0.27     0.04   0.02   0.06    -0.04  -0.02  -0.06
                     28                     29                     30
                      A                      A                      A
 Frequencies --   1039.1561              1064.6092              1075.0355
 Red. masses --      2.8629                 4.2173                 4.6457
 Frc consts  --      1.8215                 2.8162                 3.1634
 IR Inten    --     32.9089                13.7859               150.9676
 RamAct Fr= 1--      0.5950                 8.9662                 1.8163
  Dep-P Fr= 1--      0.5713                 0.1036                 0.7227
  Dep-U Fr= 1--      0.7272                 0.1877                 0.8390
 Alpha2 Fr= 1--      0.0020                 0.1556                 0.0009
 Beta2  Fr= 1--      0.0721                 0.2805                 0.2540
 AlphaG Fr= 1--      0.0079                 0.0713                -0.0047
 Gamma2 Fr= 1--      0.8042                -0.7352                -1.3133
 Delta2 Fr= 1--      0.4729                -0.4516                -0.4044
 Raman1 Fr= 1--       2.380                 35.865                  7.265
 ROA1   Fr= 1--      92.338                -85.033               -139.022
 CID1   Fr= 1--      38.799                 -2.371                -19.136
 Raman2 Fr= 1--       0.865                  3.366                  3.048
 ROA2   Fr= 1--      15.518                -14.032                -28.285
 CID2   Fr= 1--      17.935                 -4.168                 -9.280
 Raman3 Fr= 1--       1.731                  6.733                  6.096
 ROA3   Fr= 1--      92.338                -85.033               -139.022
 CID3   Fr= 1--      53.357                -12.630                -22.807
 RC180  Fr= 1--       0.454                 -0.625                  0.678
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.06  -0.01   0.01     0.07  -0.01   0.15     0.01   0.05   0.08
     2   6    -0.00   0.15   0.09    -0.01  -0.09  -0.21    -0.01   0.01  -0.07
     3   6     0.06  -0.12  -0.03    -0.12  -0.02  -0.11    -0.02   0.06  -0.05
     4   6    -0.09  -0.06   0.14    -0.12  -0.09   0.14     0.02  -0.12   0.07
     5   8     0.01   0.09  -0.05    -0.08   0.09  -0.13     0.28   0.05   0.01
     6   6     0.09  -0.04  -0.11     0.17   0.06   0.22    -0.29   0.10  -0.02
     7   8    -0.01  -0.02  -0.01     0.02   0.01  -0.02     0.02  -0.03  -0.04
     8   1    -0.22  -0.12   0.02     0.12   0.11   0.15    -0.12   0.03   0.10
     9   8    -0.01   0.01  -0.02     0.00   0.01   0.04     0.03  -0.01   0.01
    10   1    -0.03   0.25   0.11    -0.14  -0.23  -0.20     0.01  -0.38  -0.13
    11   1     0.09  -0.02  -0.03    -0.10   0.06  -0.11    -0.10   0.14  -0.03
    12   8     0.04   0.04  -0.03     0.03   0.03   0.00    -0.02  -0.03   0.03
    13   6     0.03   0.05  -0.13     0.11   0.02   0.01    -0.08   0.00  -0.19
    14   1    -0.29   0.07   0.16    -0.11  -0.19   0.12     0.06  -0.09   0.04
    15   8    -0.01  -0.05   0.00    -0.05  -0.01   0.00    -0.03  -0.03   0.04
    16   1     0.12  -0.06  -0.12     0.15  -0.04   0.21    -0.19  -0.05  -0.03
    17   1    -0.01   0.07   0.06     0.01  -0.24  -0.17     0.01  -0.05  -0.03
    18   1     0.21  -0.09   0.08     0.02  -0.01   0.03     0.06  -0.03  -0.01
    19   1    -0.25  -0.20   0.23    -0.06  -0.04   0.06     0.06   0.05  -0.07
    20   8     0.01  -0.02   0.12    -0.01   0.00  -0.00     0.01  -0.02   0.15
    21   1     0.01   0.01  -0.26     0.08  -0.03  -0.20    -0.28   0.11  -0.27
    22   1    -0.08  -0.06  -0.01    -0.02  -0.09   0.10    -0.01  -0.00  -0.12
    23   1    -0.23  -0.29   0.26     0.23   0.23  -0.23     0.27   0.28  -0.29
    24   1    -0.11  -0.04  -0.19    -0.11  -0.01  -0.27    -0.05  -0.06  -0.08
                     31                     32                     33
                      A                      A                      A
 Frequencies --   1085.1387              1100.6041              1112.1240
 Red. masses --      2.7408                 2.3049                 2.6797
 Frc consts  --      1.9015                 1.6450                 1.9527
 IR Inten    --    153.7214               166.8527                81.7796
 RamAct Fr= 1--      2.2584                 0.6820                 5.7062
  Dep-P Fr= 1--      0.5576                 0.4900                 0.7377
  Dep-U Fr= 1--      0.7160                 0.6577                 0.8491
 Alpha2 Fr= 1--      0.0083                 0.0035                 0.0012
 Beta2  Fr= 1--      0.2695                 0.0748                 0.8075
 AlphaG Fr= 1--      0.0053                -0.0024                -0.0007
 Gamma2 Fr= 1--      0.3227                 0.5072                -0.7162
 Delta2 Fr= 1--     -0.0233                 0.0766                -0.4678
 Raman1 Fr= 1--       9.034                  2.728                 22.825
 ROA1   Fr= 1--      30.234                 51.146                -83.723
 CID1   Fr= 1--       3.347                 18.749                 -3.668
 Raman2 Fr= 1--       3.234                  0.897                  9.690
 ROA2   Fr= 1--       7.932                 11.561                -13.446
 CID2   Fr= 1--       2.453                 12.887                 -1.388
 Raman3 Fr= 1--       6.468                  1.794                 19.380
 ROA3   Fr= 1--      30.234                 51.146                -83.723
 CID3   Fr= 1--       4.674                 28.506                 -4.320
 RC180  Fr= 1--       0.432                  0.315                  0.698
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03  -0.11   0.03     0.07  -0.03   0.03    -0.09   0.26   0.01
     2   6     0.11   0.02  -0.09    -0.05   0.05  -0.00     0.07  -0.08   0.04
     3   6     0.13   0.05  -0.11    -0.10  -0.12  -0.06     0.10  -0.05  -0.01
     4   6     0.05   0.15   0.03    -0.09   0.09   0.05    -0.05   0.03   0.04
     5   8    -0.07  -0.08   0.02     0.09  -0.00   0.02     0.02  -0.00  -0.00
     6   6     0.04   0.04   0.04    -0.11  -0.03  -0.02     0.01   0.07  -0.01
     7   8    -0.02   0.04   0.01     0.00   0.03   0.02     0.02  -0.11  -0.08
     8   1    -0.40  -0.21   0.08     0.03   0.00   0.04    -0.12   0.29   0.01
     9   8    -0.07   0.03  -0.02     0.03  -0.01   0.01    -0.03  -0.01  -0.01
    10   1     0.08  -0.08  -0.10    -0.10   0.03   0.00     0.16  -0.35  -0.01
    11   1     0.10   0.12  -0.10    -0.18  -0.06  -0.05     0.26  -0.13  -0.04
    12   8    -0.03  -0.07   0.04     0.05   0.05  -0.04    -0.00  -0.01  -0.01
    13   6    -0.02  -0.05  -0.10     0.06  -0.09   0.05     0.03  -0.02   0.05
    14   1    -0.17   0.28   0.07    -0.31   0.30   0.09    -0.18   0.10   0.06
    15   8    -0.01  -0.02   0.02     0.02   0.02  -0.01    -0.03  -0.03   0.03
    16   1    -0.02  -0.03   0.04    -0.05  -0.08  -0.03    -0.00   0.11  -0.00
    17   1    -0.02   0.08   0.04    -0.01  -0.25  -0.16     0.03   0.14   0.09
    18   1     0.25  -0.12   0.12     0.13  -0.06   0.03    -0.38   0.16  -0.14
    19   1    -0.15  -0.18   0.15    -0.15  -0.11   0.14    -0.26  -0.22   0.20
    20   8    -0.00   0.00   0.06    -0.02   0.02  -0.07    -0.01   0.01  -0.05
    21   1    -0.06   0.07   0.18     0.13  -0.01   0.47     0.11  -0.03   0.20
    22   1     0.11   0.13  -0.27     0.17   0.10  -0.19     0.03   0.03  -0.03
    23   1     0.17   0.18  -0.18     0.01   0.02  -0.01     0.08   0.08  -0.09
    24   1     0.07   0.01   0.25     0.14   0.06   0.36     0.05   0.03   0.13
                     34                     35                     36
                      A                      A                      A
 Frequencies --   1121.0793              1127.6325              1154.2106
 Red. masses --      3.4691                 4.2808                 3.6035
 Frc consts  --      2.5688                 3.2071                 2.8284
 IR Inten    --     49.8520                42.6963                33.6949
 RamAct Fr= 1--      6.9264                 6.6027                 2.4440
  Dep-P Fr= 1--      0.7459                 0.3206                 0.3842
  Dep-U Fr= 1--      0.8545                 0.4855                 0.5551
 Alpha2 Fr= 1--      0.0005                 0.0636                 0.0191
 Beta2  Fr= 1--      0.9864                 0.5343                 0.2261
 AlphaG Fr= 1--     -0.0037                 0.0080                 0.0074
 Gamma2 Fr= 1--      0.2235                -1.7207                 1.4535
 Delta2 Fr= 1--     -0.3248                -1.3029                 0.9781
 Raman1 Fr= 1--      27.706                 26.411                  9.776
 ROA1   Fr= 1--      11.059               -206.879                170.834
 CID1   Fr= 1--       0.399                 -7.833                 17.475
 Raman2 Fr= 1--      11.837                  6.411                  2.713
 ROA2   Fr= 1--       7.962                -30.873                 27.058
 CID2   Fr= 1--       0.673                 -4.815                  9.972
 Raman3 Fr= 1--      23.673                 12.823                  5.427
 ROA3   Fr= 1--      11.059               -206.879                170.834
 CID3   Fr= 1--       0.467                -16.134                 31.481
 RC180  Fr= 1--       0.709                 -0.029                  0.110
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.07  -0.10   0.00    -0.02   0.01   0.02     0.05  -0.13  -0.12
     2   6     0.25   0.00  -0.03    -0.21   0.05  -0.03    -0.06   0.01   0.01
     3   6     0.03   0.00   0.07     0.20   0.22  -0.14     0.06   0.05   0.02
     4   6    -0.12  -0.10  -0.01    -0.12  -0.02   0.05    -0.09  -0.06  -0.04
     5   8     0.08   0.08  -0.02     0.04   0.01  -0.04     0.07  -0.00  -0.01
     6   6    -0.12  -0.09   0.06    -0.05  -0.12   0.03     0.08   0.26  -0.13
     7   8    -0.02   0.02   0.01    -0.01  -0.03  -0.03    -0.02   0.06   0.06
     8   1    -0.18  -0.28   0.01    -0.04   0.04   0.01    -0.00  -0.25  -0.13
     9   8    -0.13   0.04  -0.05     0.13  -0.02   0.04     0.02  -0.00   0.00
    10   1     0.34   0.12  -0.03    -0.31   0.26   0.02    -0.04  -0.33  -0.04
    11   1     0.10   0.02   0.05     0.40   0.27  -0.16    -0.11   0.19   0.06
    12   8     0.01   0.02  -0.01    -0.08  -0.13   0.10    -0.01  -0.02   0.01
    13   6     0.05   0.02   0.14     0.05  -0.01   0.09     0.02   0.03   0.10
    14   1    -0.14  -0.10  -0.01    -0.20  -0.17   0.04    -0.45  -0.14  -0.01
    15   8     0.02   0.06  -0.03     0.04   0.07  -0.05    -0.08  -0.15   0.11
    16   1    -0.15  -0.16   0.06     0.06  -0.20   0.00     0.14   0.37  -0.12
    17   1    -0.01   0.37   0.25     0.00   0.18   0.16    -0.03   0.03   0.02
    18   1     0.19  -0.13   0.07     0.04   0.02  -0.01     0.03   0.00   0.04
    19   1    -0.01  -0.01   0.03    -0.06  -0.11   0.05     0.01  -0.00   0.01
    20   8     0.00   0.00  -0.09    -0.00   0.01  -0.06     0.00  -0.01  -0.07
    21   1     0.13  -0.09  -0.01     0.13  -0.06   0.10     0.21  -0.10   0.11
    22   1    -0.01  -0.11   0.29     0.07  -0.04   0.13    -0.02  -0.07   0.22
    23   1     0.13   0.14  -0.10    -0.13  -0.12   0.15     0.07   0.03  -0.10
    24   1    -0.04   0.02  -0.15     0.01   0.00  -0.06     0.03   0.02   0.07
                     37                     38                     39
                      A                      A                      A
 Frequencies --   1206.0550              1240.4314              1245.9996
 Red. masses --      1.2567                 1.2165                 1.1459
 Frc consts  --      1.0770                 1.1028                 1.0481
 IR Inten    --      5.9616                47.7260                28.3942
 RamAct Fr= 1--      1.6904                 1.7129                 2.5311
  Dep-P Fr= 1--      0.0936                 0.6618                 0.7343
  Dep-U Fr= 1--      0.1711                 0.7965                 0.8468
 Alpha2 Fr= 1--      0.0301                 0.0027                 0.0007
 Beta2  Fr= 1--      0.0482                 0.2274                 0.3572
 AlphaG Fr= 1--     -0.0060                -0.0119                 0.0048
 Gamma2 Fr= 1--     -0.1779                 0.7473                 0.3090
 Delta2 Fr= 1--     -0.1419                -0.1260                 0.2401
 Raman1 Fr= 1--       6.762                  6.852                 10.124
 ROA1   Fr= 1--     -21.621                 67.710                 37.349
 CID1   Fr= 1--      -3.198                  9.882                  3.689
 Raman2 Fr= 1--       0.579                  2.729                  4.286
 ROA2   Fr= 1--      -3.136                 18.944                  5.496
 CID2   Fr= 1--      -5.419                  6.943                  1.282
 Raman3 Fr= 1--       1.157                  5.457                  8.573
 ROA3   Fr= 1--     -21.621                 67.710                 37.349
 CID3   Fr= 1--     -18.684                 12.408                  4.357
 RC180  Fr= 1--      -0.658                  0.593                  0.694
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.06   0.03    -0.02  -0.04   0.07     0.01   0.02   0.01
     2   6     0.03  -0.04  -0.02     0.01  -0.01  -0.03     0.02  -0.05  -0.04
     3   6    -0.05   0.02  -0.04    -0.01   0.00  -0.03    -0.02  -0.00  -0.01
     4   6    -0.02   0.01   0.06    -0.00   0.03  -0.02     0.01   0.01  -0.03
     5   8     0.02   0.01  -0.01     0.01  -0.02   0.02     0.01  -0.01   0.02
     6   6     0.00   0.03  -0.03    -0.01   0.03  -0.04    -0.02   0.01   0.03
     7   8    -0.01   0.00  -0.00     0.01   0.01  -0.01    -0.01  -0.01  -0.01
     8   1     0.45   0.05  -0.04    -0.04   0.17   0.10     0.18   0.08  -0.02
     9   8    -0.01  -0.00  -0.00     0.00  -0.02   0.01    -0.01   0.03  -0.00
    10   1     0.22   0.32   0.00     0.31   0.44  -0.02    -0.26  -0.17  -0.02
    11   1     0.27  -0.18  -0.12     0.01   0.21  -0.02    -0.11   0.19   0.02
    12   8    -0.00  -0.00   0.01     0.01  -0.01   0.01     0.02  -0.01  -0.01
    13   6     0.02  -0.01  -0.05    -0.01  -0.03   0.04    -0.01  -0.01   0.01
    14   1     0.04  -0.30   0.03    -0.06   0.28   0.00     0.02   0.11  -0.02
    15   8    -0.00  -0.02   0.01    -0.00  -0.02   0.01     0.02  -0.01  -0.02
    16   1    -0.12   0.29   0.01     0.01   0.19  -0.03    -0.16   0.48   0.08
    17   1    -0.00   0.22   0.16     0.00  -0.18  -0.12    -0.00   0.21   0.15
    18   1    -0.15   0.06  -0.06    -0.32   0.13  -0.13     0.34  -0.14   0.14
    19   1     0.09   0.08  -0.09    -0.07  -0.07   0.07    -0.17  -0.15   0.15
    20   8    -0.01   0.01   0.01     0.01  -0.00  -0.01     0.01  -0.00  -0.00
    21   1     0.12  -0.02   0.16    -0.23   0.06  -0.19    -0.09   0.02  -0.07
    22   1    -0.10   0.08  -0.24     0.20  -0.09   0.25     0.07  -0.03   0.08
    23   1    -0.09  -0.10   0.10    -0.03  -0.04   0.03    -0.23  -0.27   0.26
    24   1     0.06   0.02   0.20    -0.09  -0.02  -0.27    -0.03  -0.01  -0.09
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1251.0780              1259.0050              1326.4334
 Red. masses --      1.2673                 1.2026                 1.1970
 Frc consts  --      1.1687                 1.1231                 1.2408
 IR Inten    --     31.7783                15.0240                22.1333
 RamAct Fr= 1--      2.8701                 4.6497                 2.3720
  Dep-P Fr= 1--      0.7495                 0.7488                 0.3565
  Dep-U Fr= 1--      0.8568                 0.8563                 0.5256
 Alpha2 Fr= 1--      0.0000                 0.0001                 0.0204
 Beta2  Fr= 1--      0.4098                 0.6636                 0.2078
 AlphaG Fr= 1--      0.0002                -0.0022                -0.0277
 Gamma2 Fr= 1--      0.0102                -0.1796                -0.4265
 Delta2 Fr= 1--      0.5563                -0.5146                 0.0062
 Raman1 Fr= 1--      11.480                 18.599                  9.488
 ROA1   Fr= 1--      18.776                -33.715                -40.740
 CID1   Fr= 1--       1.636                 -1.813                 -4.294
 Raman2 Fr= 1--       4.918                  7.964                  2.493
 ROA2   Fr= 1--      -4.206                 -0.194                -10.285
 CID2   Fr= 1--      -0.855                 -0.024                 -4.125
 Raman3 Fr= 1--       9.836                 15.927                  4.987
 ROA3   Fr= 1--      18.776                -33.715                -40.740
 CID3   Fr= 1--       1.909                 -2.117                 -8.170
 RC180  Fr= 1--       0.714                  0.713                  0.051
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02  -0.01  -0.03     0.00  -0.01   0.04     0.03   0.00   0.00
     2   6    -0.01   0.03   0.07    -0.00   0.02   0.02    -0.00   0.03  -0.02
     3   6    -0.05   0.01  -0.05    -0.02   0.01  -0.00     0.00  -0.00  -0.02
     4   6    -0.03   0.06   0.01     0.04  -0.06  -0.06    -0.06  -0.06  -0.01
     5   8    -0.00  -0.02   0.01    -0.02   0.01   0.00    -0.01  -0.01   0.00
     6   6     0.01   0.00  -0.02     0.01  -0.02  -0.01    -0.05   0.02   0.05
     7   8    -0.02  -0.01   0.01    -0.01  -0.01  -0.01    -0.01  -0.00   0.00
     8   1     0.52  -0.14  -0.14     0.26   0.03   0.00    -0.07  -0.14  -0.00
     9   8    -0.00   0.00  -0.01    -0.00  -0.01  -0.00    -0.00  -0.01  -0.00
    10   1     0.02  -0.21   0.04     0.11   0.07   0.02     0.22  -0.14  -0.06
    11   1     0.12  -0.05  -0.09    -0.22   0.63   0.07     0.05   0.02  -0.03
    12   8     0.01  -0.01   0.00     0.03  -0.01  -0.00    -0.01   0.00   0.01
    13   6     0.02  -0.05   0.02    -0.02   0.05  -0.03     0.02   0.01  -0.01
    14   1     0.14   0.14  -0.00     0.04  -0.03  -0.06     0.38   0.50  -0.02
    15   8    -0.01   0.00   0.01    -0.01   0.01   0.00     0.02  -0.01  -0.01
    16   1     0.14  -0.28  -0.06     0.02  -0.20  -0.02     0.55   0.12  -0.02
    17   1    -0.01   0.29   0.21    -0.00   0.11   0.08    -0.00   0.08   0.06
    18   1     0.02  -0.01   0.02    -0.13   0.05  -0.05    -0.09   0.04  -0.03
    19   1    -0.08  -0.07   0.06    -0.26  -0.24   0.24     0.09   0.08  -0.08
    20   8     0.01   0.01   0.01    -0.01  -0.01   0.00    -0.00   0.01   0.01
    21   1    -0.25   0.09  -0.16     0.21  -0.08   0.11     0.13  -0.04   0.08
    22   1     0.18  -0.04   0.09    -0.14   0.04  -0.08    -0.11   0.04  -0.15
    23   1     0.16   0.18  -0.17     0.07   0.09  -0.08    -0.14  -0.16   0.14
    24   1    -0.10  -0.02  -0.28     0.09   0.00   0.23     0.01   0.00   0.02
                     43                     44                     45
                      A                      A                      A
 Frequencies --   1332.9666              1346.3991              1353.3473
 Red. masses --      1.3562                 1.2940                 1.2787
 Frc consts  --      1.4198                 1.3821                 1.3799
 IR Inten    --     38.2173                30.8310                51.4767
 RamAct Fr= 1--      3.3445                 2.4660                 1.3985
  Dep-P Fr= 1--      0.7333                 0.7178                 0.5985
  Dep-U Fr= 1--      0.8461                 0.8357                 0.7488
 Alpha2 Fr= 1--      0.0010                 0.0014                 0.0039
 Beta2  Fr= 1--      0.4717                 0.3435                 0.1745
 AlphaG Fr= 1--      0.0023                 0.0046                 0.0029
 Gamma2 Fr= 1--      1.3378                 0.1079                -0.6447
 Delta2 Fr= 1--     -0.3896                -0.6152                 0.2202
 Raman1 Fr= 1--      13.378                  9.864                  5.594
 ROA1   Fr= 1--     115.962                 -9.324                -54.845
 CID1   Fr= 1--       8.668                 -0.945                 -9.804
 Raman2 Fr= 1--       5.660                  4.122                  2.094
 ROA2   Fr= 1--      35.225                  7.512                -17.234
 CID2   Fr= 1--       6.224                  1.823                 -8.228
 Raman3 Fr= 1--      11.320                  8.243                  4.189
 ROA3   Fr= 1--     115.962                 -9.324                -54.845
 CID3   Fr= 1--      10.244                 -1.131                -13.093
 RC180  Fr= 1--       0.692                  0.671                  0.498
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.00  -0.03    -0.04  -0.02  -0.01    -0.09  -0.02  -0.05
     2   6     0.00  -0.01  -0.02    -0.04   0.10   0.00    -0.01  -0.05   0.05
     3   6    -0.02   0.05   0.08    -0.01  -0.01   0.01    -0.04   0.00   0.00
     4   6    -0.09   0.05  -0.03     0.03   0.04   0.00    -0.01  -0.04   0.01
     5   8     0.01  -0.01   0.00     0.00  -0.00  -0.02     0.00   0.01   0.00
     6   6    -0.01   0.01  -0.01    -0.01   0.01   0.07     0.00  -0.01  -0.01
     7   8     0.02   0.01   0.02     0.01   0.01   0.01     0.03   0.02   0.01
     8   1    -0.20  -0.15  -0.01     0.09  -0.04  -0.03     0.14   0.38  -0.03
     9   8     0.00   0.00   0.00     0.00  -0.01  -0.02    -0.01   0.04  -0.02
    10   1    -0.07   0.09   0.00     0.55  -0.52  -0.14     0.07  -0.06   0.04
    11   1     0.18   0.06   0.04     0.08   0.11  -0.00     0.54   0.21  -0.11
    12   8     0.03  -0.01  -0.03     0.01  -0.00   0.00     0.00  -0.00   0.02
    13   6     0.04  -0.05   0.00    -0.01  -0.02   0.01    -0.00   0.03  -0.02
    14   1     0.49  -0.38  -0.12    -0.18  -0.31  -0.00     0.09   0.19   0.01
    15   8    -0.00  -0.00   0.01     0.02  -0.00  -0.04    -0.01   0.00   0.01
    16   1     0.06   0.10  -0.02    -0.11  -0.07   0.08     0.05   0.00  -0.01
    17   1     0.01  -0.22  -0.14     0.00  -0.17  -0.12     0.01  -0.33  -0.22
    18   1     0.01  -0.01   0.00    -0.08   0.03  -0.03     0.38  -0.15   0.14
    19   1    -0.29  -0.26   0.25    -0.02  -0.02   0.02     0.02   0.02  -0.02
    20   8     0.01   0.02   0.02     0.01   0.00   0.00    -0.01  -0.01  -0.01
    21   1    -0.03   0.02   0.07    -0.06   0.02   0.01     0.07  -0.03  -0.02
    22   1    -0.08   0.08  -0.27     0.02   0.00   0.00     0.05  -0.04   0.10
    23   1     0.02   0.02  -0.02    -0.20  -0.23   0.21     0.07   0.08  -0.07
    24   1    -0.08  -0.01  -0.22    -0.02  -0.00  -0.07     0.05   0.01   0.14
                     46                     47                     48
                      A                      A                      A
 Frequencies --   1365.3787              1383.6440              1393.5615
 Red. masses --      1.2035                 1.2568                 1.3646
 Frc consts  --      1.3220                 1.4176                 1.5613
 IR Inten    --      2.8207                14.8089                 5.8365
 RamAct Fr= 1--      0.5327                 1.5386                 3.5739
  Dep-P Fr= 1--      0.6027                 0.7104                 0.5901
  Dep-U Fr= 1--      0.7521                 0.8307                 0.7422
 Alpha2 Fr= 1--      0.0015                 0.0011                 0.0107
 Beta2  Fr= 1--      0.0668                 0.2130                 0.4421
 AlphaG Fr= 1--      0.0017                -0.0083                -0.0147
 Gamma2 Fr= 1--     -0.1309                 0.3368                 0.5642
 Delta2 Fr= 1--     -0.2121                 0.8685                 0.0500
 Raman1 Fr= 1--       2.131                  6.154                 14.295
 ROA1   Fr= 1--     -19.356                 60.124                 55.764
 CID1   Fr= 1--      -9.085                  9.769                  3.901
 Raman2 Fr= 1--       0.801                  2.556                  5.305
 ROA2   Fr= 1--      -1.446                  1.135                 13.141
 CID2   Fr= 1--      -1.805                  0.444                  2.477
 Raman3 Fr= 1--       1.603                  5.112                 10.610
 ROA3   Fr= 1--     -19.356                 60.124                 55.764
 CID3   Fr= 1--     -12.078                 11.761                  5.256
 RC180  Fr= 1--       0.504                  0.661                  0.484
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.04   0.02     0.02   0.01   0.01    -0.01   0.06  -0.01
     2   6    -0.02  -0.04   0.05    -0.01  -0.02   0.00     0.03  -0.04  -0.01
     3   6     0.06  -0.00   0.00    -0.03   0.05   0.02    -0.05  -0.04   0.00
     4   6     0.00   0.03  -0.01     0.02   0.04   0.03     0.11   0.01  -0.01
     5   8    -0.01  -0.00  -0.02    -0.01  -0.00  -0.02    -0.01   0.01  -0.03
     6   6    -0.03  -0.00   0.00    -0.05   0.00   0.02    -0.07  -0.00   0.01
     7   8    -0.01  -0.00  -0.03    -0.00  -0.00  -0.00     0.01   0.00   0.01
     8   1     0.02   0.56   0.11    -0.05  -0.07   0.01     0.02  -0.36  -0.08
     9   8    -0.01   0.02  -0.02    -0.00   0.00  -0.01     0.00  -0.00   0.01
    10   1     0.21   0.05   0.04     0.11   0.07  -0.00    -0.18   0.15   0.03
    11   1    -0.38  -0.08   0.09    -0.06  -0.27   0.02     0.31   0.24  -0.07
    12   8    -0.01   0.00  -0.01     0.02  -0.01  -0.03     0.00  -0.00   0.01
    13   6     0.00  -0.03   0.02    -0.04   0.05  -0.06    -0.02  -0.02   0.03
    14   1    -0.10  -0.23  -0.02     0.08  -0.23   0.00    -0.47  -0.18   0.04
    15   8    -0.00   0.00   0.01     0.01  -0.00   0.00     0.01  -0.00   0.01
    16   1     0.43   0.01  -0.06     0.40   0.03  -0.05     0.53   0.08  -0.07
    17   1    -0.00   0.07   0.05    -0.00   0.01   0.02     0.00  -0.05  -0.03
    18   1     0.24  -0.10   0.09     0.05  -0.02   0.02     0.01  -0.01   0.00
    19   1     0.03   0.02  -0.02    -0.18  -0.16   0.15     0.02   0.02  -0.02
    20   8     0.01   0.02   0.01    -0.02  -0.03  -0.02     0.01   0.01   0.00
    21   1    -0.04   0.02   0.08     0.10  -0.05  -0.09    -0.10   0.04   0.03
    22   1    -0.12   0.07  -0.19     0.41  -0.14   0.47    -0.14   0.04  -0.11
    23   1     0.04   0.05  -0.05    -0.03  -0.02   0.02    -0.01  -0.00   0.00
    24   1    -0.06  -0.01  -0.21     0.11   0.01   0.34    -0.03  -0.01  -0.13
                     49                     50                     51
                      A                      A                      A
 Frequencies --   1422.0455              1428.6032              1441.0602
 Red. masses --      1.5130                 1.4409                 1.4062
 Frc consts  --      1.8027                 1.7326                 1.7206
 IR Inten    --     24.0902                19.8737                 2.0020
 RamAct Fr= 1--      3.6678                 4.2855                 2.0034
  Dep-P Fr= 1--      0.7036                 0.4390                 0.4754
  Dep-U Fr= 1--      0.8260                 0.6101                 0.6444
 Alpha2 Fr= 1--      0.0030                 0.0274                 0.0110
 Beta2  Fr= 1--      0.5050                 0.4358                 0.2152
 AlphaG Fr= 1--     -0.0008                 0.0215                -0.0052
 Gamma2 Fr= 1--      0.1250                -0.3034                -0.0624
 Delta2 Fr= 1--     -0.2370                 0.5714                -0.1900
 Raman1 Fr= 1--      14.671                 17.142                  8.014
 ROA1   Fr= 1--       4.420                -10.839                -12.075
 CID1   Fr= 1--       0.301                 -0.632                 -1.507
 Raman2 Fr= 1--       6.060                  5.229                  2.582
 ROA2   Fr= 1--       4.896                -11.852                  0.022
 CID2   Fr= 1--       0.808                 -2.266                  0.009
 Raman3 Fr= 1--      12.119                 10.459                  5.164
 ROA3   Fr= 1--       4.420                -10.839                -12.075
 CID3   Fr= 1--       0.365                 -1.036                 -2.338
 RC180  Fr= 1--       0.652                  0.220                  0.289
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.12   0.02  -0.01     0.08   0.02  -0.00     0.08  -0.08  -0.03
     2   6    -0.09  -0.06   0.01    -0.05  -0.05   0.01     0.06   0.07   0.00
     3   6    -0.07   0.04   0.02    -0.06   0.02   0.01    -0.07  -0.03   0.02
     4   6     0.03  -0.02  -0.02     0.05  -0.04   0.01     0.00   0.03   0.00
     5   8     0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
     6   6     0.02   0.03   0.00     0.03   0.03   0.00    -0.01   0.01   0.01
     7   8    -0.02  -0.01  -0.01    -0.01  -0.01  -0.01    -0.02  -0.01  -0.02
     8   1    -0.34  -0.01   0.07    -0.20  -0.03   0.04    -0.32   0.54   0.14
     9   8    -0.00   0.02  -0.02    -0.00   0.01  -0.01     0.00  -0.03   0.02
    10   1     0.40   0.12  -0.02     0.23   0.11  -0.00    -0.36  -0.19   0.01
    11   1     0.20  -0.07  -0.04     0.17  -0.08  -0.04     0.34   0.20  -0.06
    12   8     0.01  -0.01  -0.01     0.01  -0.00  -0.00     0.01   0.00   0.01
    13   6     0.08   0.00   0.05    -0.11  -0.02  -0.03    -0.00  -0.00  -0.01
    14   1    -0.15   0.09   0.01    -0.06   0.11   0.04     0.01  -0.13  -0.01
    15   8     0.00   0.00  -0.01    -0.00  -0.00  -0.01     0.00  -0.01  -0.01
    16   1    -0.13  -0.12   0.01    -0.18  -0.16   0.02     0.08  -0.08  -0.01
    17   1    -0.01   0.20   0.14    -0.00   0.13   0.09    -0.01   0.24   0.16
    18   1     0.17  -0.07   0.07     0.12  -0.05   0.05    -0.26   0.11  -0.09
    19   1    -0.10  -0.09   0.09    -0.05  -0.05   0.05     0.03   0.03  -0.02
    20   8    -0.03  -0.02  -0.00     0.04   0.03   0.01    -0.00  -0.00  -0.00
    21   1    -0.29   0.15  -0.36     0.34  -0.19   0.50    -0.01   0.01   0.00
    22   1    -0.27   0.02  -0.17     0.20   0.02   0.07     0.07  -0.02   0.07
    23   1    -0.01  -0.01   0.01    -0.01  -0.02   0.02    -0.05  -0.06   0.04
    24   1     0.09  -0.00   0.28    -0.15   0.00  -0.47     0.01  -0.00   0.02
                     52                     53                     54
                      A                      A                      A
 Frequencies --   1446.8126              1462.0526              1498.4877
 Red. masses --      1.6632                 1.6558                 1.0825
 Frc consts  --      2.0513                 2.0854                 1.4321
 IR Inten    --     21.3822                 5.8911                 5.2900
 RamAct Fr= 1--      2.0426                 3.8664                 5.4747
  Dep-P Fr= 1--      0.6870                 0.6435                 0.6905
  Dep-U Fr= 1--      0.8145                 0.7831                 0.8169
 Alpha2 Fr= 1--      0.0023                 0.0074                 0.0057
 Beta2  Fr= 1--      0.2773                 0.5046                 0.7454
 AlphaG Fr= 1--      0.0160                -0.0206                 0.0101
 Gamma2 Fr= 1--      0.0549                 0.1374                -0.0249
 Delta2 Fr= 1--     -0.5429                 0.6163                -0.2656
 Raman1 Fr= 1--       8.171                 15.466                 21.899
 ROA1   Fr= 1--     -12.102                 32.909                -10.893
 CID1   Fr= 1--      -1.481                  2.128                 -0.497
 Raman2 Fr= 1--       3.327                  6.055                  8.945
 ROA2   Fr= 1--       5.661                 -1.633                  1.527
 CID2   Fr= 1--       1.701                 -0.270                  0.171
 Raman3 Fr= 1--       6.655                 12.111                 17.889
 ROA3   Fr= 1--     -12.102                 32.909                -10.893
 CID3   Fr= 1--      -1.819                  2.717                 -0.609
 RC180  Fr= 1--       0.629                  0.566                  0.634
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.05   0.06   0.00     0.03  -0.00  -0.00    -0.00  -0.00   0.00
     2   6    -0.05  -0.05   0.00    -0.05   0.09   0.00     0.00   0.00  -0.00
     3   6     0.04  -0.16  -0.02    -0.02   0.02   0.01    -0.00   0.01   0.00
     4   6    -0.08   0.09   0.01     0.03  -0.02   0.00     0.01  -0.01  -0.00
     5   8     0.01  -0.01   0.00    -0.01   0.03  -0.00    -0.00  -0.00   0.00
     6   6     0.02  -0.01  -0.01     0.03  -0.19  -0.03     0.00   0.00   0.00
     7   8    -0.02  -0.01  -0.00    -0.01  -0.01  -0.00     0.00   0.00   0.00
     8   1    -0.17  -0.18   0.01    -0.10  -0.01   0.02     0.01   0.00  -0.00
     9   8    -0.00   0.01  -0.01     0.01  -0.01   0.00    -0.00  -0.00   0.00
    10   1     0.23   0.10  -0.01     0.18  -0.23  -0.06    -0.00  -0.00  -0.00
    11   1    -0.00   0.56   0.01     0.06  -0.06  -0.02    -0.01  -0.03   0.00
    12   8    -0.03   0.02   0.03     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    13   6     0.01  -0.00  -0.03    -0.01   0.00  -0.00     0.05   0.00  -0.06
    14   1     0.26  -0.30  -0.05    -0.07   0.04   0.02     0.03   0.02  -0.01
    15   8    -0.01   0.00   0.01    -0.02   0.02   0.05     0.00  -0.00  -0.00
    16   1    -0.05   0.09   0.00     0.02   0.77   0.02     0.00  -0.00   0.00
    17   1    -0.01   0.15   0.09    -0.00   0.06   0.04     0.00  -0.01  -0.00
    18   1     0.14  -0.05   0.05    -0.05   0.02  -0.03    -0.00   0.00  -0.00
    19   1     0.27   0.25  -0.23    -0.03  -0.03   0.03    -0.02  -0.02   0.01
    20   8    -0.00  -0.01  -0.00     0.00   0.00   0.00     0.00   0.00  -0.01
    21   1     0.00   0.02   0.02     0.04  -0.02   0.04    -0.27   0.41   0.53
    22   1     0.18  -0.08   0.19    -0.01   0.01  -0.01    -0.42  -0.42   0.35
    23   1     0.05   0.06  -0.05     0.25   0.30  -0.26    -0.00  -0.00   0.00
    24   1     0.02  -0.00   0.06    -0.01   0.00  -0.04     0.00   0.00  -0.02
                     55                     56                     57
                      A                      A                      A
 Frequencies --   2950.5863              2980.0899              2985.5961
 Red. masses --      1.0826                 1.0814                 1.0798
 Frc consts  --      5.5529                 5.6584                 5.6707
 IR Inten    --     33.2767                 5.7454                27.9298
 RamAct Fr= 1--     57.4911                21.6403               163.5302
  Dep-P Fr= 1--      0.1657                 0.0642                 0.2642
  Dep-U Fr= 1--      0.2844                 0.1207                 0.4179
 Alpha2 Fr= 1--      0.8537                 0.4132                 1.8621
 Beta2  Fr= 1--      2.7247                 0.4354                11.3907
 AlphaG Fr= 1--     -0.8486                -0.3285                 0.2484
 Gamma2 Fr= 1--     -5.5691                -1.2893                15.3991
 Delta2 Fr= 1--     -0.4314                -1.7063                13.6180
 Raman1 Fr= 1--     229.964                 86.561                654.121
 ROA1   Fr= 1--    -548.441               -178.372               1914.091
 CID1   Fr= 1--      -2.385                 -2.061                  2.926
 Raman2 Fr= 1--      32.697                  5.225                136.688
 ROA2   Fr= 1--    -130.208                -17.293                260.634
 CID2   Fr= 1--      -3.982                 -3.310                  1.907
 Raman3 Fr= 1--      65.394                 10.450                273.377
 ROA3   Fr= 1--    -548.441               -178.372               1914.091
 CID3   Fr= 1--      -8.387                -17.069                  7.002
 RC180  Fr= 1--      -0.431                 -0.759                 -0.164
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00   0.01    -0.01   0.01  -0.06    -0.01   0.01  -0.05
     2   6    -0.00  -0.00   0.01    -0.00  -0.00   0.01    -0.00  -0.00   0.01
     3   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.02
     4   6     0.00   0.00   0.00     0.01  -0.00   0.05    -0.01   0.00  -0.06
     5   8    -0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
     6   6    -0.01   0.00  -0.08     0.00  -0.00  -0.01    -0.00   0.00  -0.01
     7   8    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
     8   1    -0.03   0.02  -0.14     0.14  -0.11   0.73     0.11  -0.09   0.57
     9   8     0.00  -0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    10   1    -0.01   0.01  -0.09    -0.02   0.02  -0.14    -0.02   0.02  -0.13
    11   1     0.00   0.00   0.02    -0.00  -0.00  -0.02    -0.04   0.01  -0.21
    12   8    -0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    13   6     0.00  -0.00  -0.00     0.01  -0.01  -0.01    -0.01   0.01   0.01
    14   1    -0.01  -0.00  -0.05    -0.06   0.05  -0.60     0.07  -0.06   0.69
    15   8     0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00   0.00
    16   1     0.14  -0.06   0.97     0.00  -0.00   0.06     0.02  -0.01   0.12
    17   1    -0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    18   1    -0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    19   1     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
    20   8     0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    21   1    -0.00  -0.00  -0.00    -0.02  -0.04   0.01     0.03   0.06  -0.02
    22   1    -0.00   0.01   0.00    -0.05   0.15   0.09     0.08  -0.23  -0.15
    23   1     0.01   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    24   1     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
                     58                     59                     60
                      A                      A                      A
 Frequencies --   3005.4227              3018.0293              3032.1531
 Red. masses --      1.0737                 1.0838                 1.0849
 Frc consts  --      5.7139                 5.8165                 5.8768
 IR Inten    --     75.5388                11.5714                63.4932
 RamAct Fr= 1--    201.7712                10.1843                39.3466
  Dep-P Fr= 1--      0.0921                 0.2478                 0.1518
  Dep-U Fr= 1--      0.1687                 0.3972                 0.2637
 Alpha2 Fr= 1--      3.6016                 0.1214                 0.6054
 Beta2  Fr= 1--      5.6715                 0.6742                 1.7290
 AlphaG Fr= 1--      0.5407                 0.1513                -0.0193
 Gamma2 Fr= 1--     -7.8805                -1.0232                 1.1071
 Delta2 Fr= 1--    -10.2395                -1.7187                -0.0620
 Raman1 Fr= 1--     807.085                 40.737                157.386
 ROA1   Fr= 1--   -1084.195               -153.227                104.299
 CID1   Fr= 1--      -1.343                 -3.761                  0.663
 Raman2 Fr= 1--      68.058                  8.091                 20.748
 ROA2   Fr= 1--    -107.216                -10.807                 27.067
 CID2   Fr= 1--      -1.575                 -1.336                  1.305
 Raman3 Fr= 1--     136.117                 16.182                 41.495
 ROA3   Fr= 1--   -1084.195               -153.227                104.299
 CID3   Fr= 1--      -7.965                 -9.469                  2.514
 RC180  Fr= 1--      -0.663                 -0.206                 -0.473
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00    -0.00   0.00  -0.01    -0.00   0.00  -0.02
     2   6    -0.00  -0.00   0.00    -0.01   0.01  -0.07    -0.00   0.00  -0.04
     3   6     0.00   0.00   0.01     0.01  -0.00   0.04    -0.02   0.00  -0.07
     4   6    -0.00  -0.00  -0.03     0.00  -0.00   0.01    -0.00   0.00  -0.01
     5   8     0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
     6   6    -0.00   0.00  -0.00    -0.00   0.00  -0.01    -0.00   0.00  -0.01
     7   8     0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
     8   1     0.01  -0.01   0.03     0.01  -0.02   0.08     0.04  -0.03   0.21
     9   8     0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    10   1    -0.00   0.00  -0.02     0.10  -0.11   0.86     0.05  -0.06   0.42
    11   1    -0.02   0.01  -0.09    -0.09   0.02  -0.44     0.18  -0.03   0.84
    12   8    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
    13   6     0.03  -0.05  -0.04    -0.00   0.00   0.00     0.00  -0.00  -0.00
    14   1     0.04  -0.03   0.33    -0.01   0.00  -0.07     0.01  -0.01   0.16
    15   8     0.00   0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    16   1     0.00  -0.00   0.02     0.01  -0.00   0.09     0.01  -0.00   0.06
    17   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
    18   1     0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
    19   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    20   8    -0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    21   1    -0.09  -0.15   0.04     0.00   0.00   0.00    -0.00  -0.00  -0.00
    22   1    -0.26   0.74   0.48     0.00  -0.01  -0.00    -0.01   0.02   0.01
    23   1    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
    24   1     0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
                     61                     62                     63
                      A                      A                      A
 Frequencies --   3116.0083              3778.8962              3787.5715
 Red. masses --      1.0926                 1.0655                 1.0659
 Frc consts  --      6.2506                 8.9645                 9.0095
 IR Inten    --      9.6591                31.6783                44.1527
 RamAct Fr= 1--     70.3542                40.0220                54.9553
  Dep-P Fr= 1--      0.3277                 0.1063                 0.2308
  Dep-U Fr= 1--      0.4936                 0.1922                 0.3750
 Alpha2 Fr= 1--      0.6631                 0.6900                 0.6870
 Beta2  Fr= 1--      5.7878                 1.2819                 3.4345
 AlphaG Fr= 1--     -0.0297                -0.1300                -0.2834
 Gamma2 Fr= 1--      1.9834                -1.7058                -6.1170
 Delta2 Fr= 1--      0.4957                 0.1237                -0.4828
 Raman1 Fr= 1--     281.417                160.088                219.821
 ROA1   Fr= 1--     206.266               -159.798               -602.685
 CID1   Fr= 1--       0.733                 -0.998                 -2.742
 Raman2 Fr= 1--      69.454                 15.382                 41.214
 ROA2   Fr= 1--      43.636                -41.930               -142.946
 CID2   Fr= 1--       0.628                 -2.726                 -3.468
 Raman3 Fr= 1--     138.908                 30.765                 82.429
 ROA3   Fr= 1--     206.266               -159.798               -602.685
 CID3   Fr= 1--       1.485                 -5.194                 -7.312
 RC180  Fr= 1--      -0.013                 -0.616                 -0.250
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
     2   6     0.00  -0.00   0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
     3   6    -0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
     4   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
     5   8     0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
     6   6     0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
     7   8    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.01   0.00  -0.00
     8   1    -0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
     9   8    -0.00   0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    10   1     0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
    11   1    -0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
    12   8     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.02  -0.05  -0.02
    13   6    -0.04  -0.08   0.01    -0.00  -0.00   0.00     0.00   0.00  -0.00
    14   1    -0.00   0.00  -0.01    -0.00  -0.00   0.00    -0.00   0.00   0.00
    15   8    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    16   1    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00   0.00   0.00
    17   1     0.00   0.00   0.00    -0.00   0.00  -0.00     0.17  -0.02   0.01
    18   1     0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.01  -0.01   0.00
    19   1     0.00   0.00   0.00    -0.01   0.02   0.01    -0.37   0.84   0.35
    20   8     0.00   0.00   0.00    -0.04  -0.04   0.02     0.00   0.00  -0.00
    21   1     0.57   0.77  -0.24     0.01   0.01  -0.00    -0.00  -0.00   0.00
    22   1    -0.06   0.13   0.09    -0.00  -0.00  -0.00    -0.00   0.00   0.00
    23   1     0.00   0.00   0.00    -0.00   0.01   0.00    -0.00   0.01   0.01
    24   1    -0.01  -0.01  -0.00     0.63   0.71  -0.30    -0.01  -0.02   0.01
                     64                     65                     66
                      A                      A                      A
 Frequencies --   3789.3946              3794.9103              3797.2167
 Red. masses --      1.0659                 1.0660                 1.0660
 Frc consts  --      9.0177                 9.0447                 9.0556
 IR Inten    --     59.1007                42.0883                62.4870
 RamAct Fr= 1--     91.3089                60.8810               143.7130
  Dep-P Fr= 1--      0.1593                 0.3327                 0.1520
  Dep-U Fr= 1--      0.2748                 0.4993                 0.2639
 Alpha2 Fr= 1--      1.3786                 0.5649                 2.2105
 Beta2  Fr= 1--      4.1817                 5.0659                 6.3199
 AlphaG Fr= 1--      0.3470                -0.2948                 0.7854
 Gamma2 Fr= 1--      7.2326               -14.3578                15.1065
 Delta2 Fr= 1--      0.9437                -5.7723                 5.8278
 Raman1 Fr= 1--     365.236                243.524                574.852
 ROA1   Fr= 1--     724.527              -1563.064               1636.715
 CID1   Fr= 1--       1.984                 -6.419                  2.847
 Raman2 Fr= 1--      50.180                 60.790                 75.838
 ROA2   Fr= 1--     166.033               -298.409                315.933
 CID2   Fr= 1--       3.309                 -4.909                  4.166
 Raman3 Fr= 1--     100.360                121.581                151.677
 ROA3   Fr= 1--     724.527              -1563.064               1636.715
 CID3   Fr= 1--       7.219                -12.856                 10.791
 RC180  Fr= 1--      -0.450                 -0.001                 -0.472
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
     2   6     0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     3   6     0.00   0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
     4   6     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
     5   8    -0.00  -0.00   0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
     6   6    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
     7   8    -0.06   0.01  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     8   1     0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
     9   8     0.00   0.00  -0.00    -0.03  -0.05   0.02    -0.01  -0.01   0.01
    10   1    -0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
    11   1     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    12   8    -0.00   0.01   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    13   6    -0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
    14   1    -0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
    15   8     0.00  -0.00  -0.00    -0.00   0.01   0.01     0.02  -0.05  -0.03
    16   1     0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    17   1     0.97  -0.09   0.07     0.07  -0.01   0.01     0.01  -0.00   0.00
    18   1    -0.04  -0.06   0.02     0.49   0.76  -0.29     0.15   0.24  -0.09
    19   1     0.07  -0.15  -0.06    -0.00   0.00   0.00     0.00  -0.01  -0.00
    20   8    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    21   1     0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    22   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    23   1    -0.00   0.01   0.01     0.08  -0.24  -0.15    -0.26   0.77   0.49
    24   1     0.00   0.01  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  8 and mass  15.99491
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  8 and mass  15.99491
 Atom     8 has atomic number  1 and mass   1.00783
 Atom     9 has atomic number  8 and mass  15.99491
 Atom    10 has atomic number  1 and mass   1.00783
 Atom    11 has atomic number  1 and mass   1.00783
 Atom    12 has atomic number  8 and mass  15.99491
 Atom    13 has atomic number  6 and mass  12.00000
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  8 and mass  15.99491
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Atom    20 has atomic number  8 and mass  15.99491
 Atom    21 has atomic number  1 and mass   1.00783
 Atom    22 has atomic number  1 and mass   1.00783
 Atom    23 has atomic number  1 and mass   1.00783
 Atom    24 has atomic number  1 and mass   1.00783
 Molecular mass:   180.06339 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --  1539.979562209.021433379.13667
           X            0.99996  -0.00748  -0.00581
           Y            0.00752   0.99995   0.00600
           Z            0.00577  -0.00604   0.99997
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.05624     0.03921     0.02563
 Rotational constants (GHZ):           1.17193     0.81699     0.53408
 Zero-point vibrational energy     516772.4 (Joules/Mol)
                                  123.51156 (Kcal/Mol)
 Warning -- explicit consideration of  21 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:    102.16   132.30   170.74   202.28   332.83
          (Kelvin)            347.77   364.26   384.48   410.92   431.66
                              480.43   529.00   548.02   554.41   584.99
                              605.18   614.75   655.61   744.67   817.07
                              853.52   907.17  1034.89  1309.83  1327.23
                             1459.46  1473.01  1495.11  1531.74  1546.74
                             1561.27  1583.52  1600.10  1612.98  1622.41
                             1660.65  1735.24  1784.70  1792.72  1800.02
                             1811.43  1908.44  1917.84  1937.17  1947.16
                             1964.48  1990.76  2005.02  2046.01  2055.44
                             2073.36  2081.64  2103.57  2155.99  4245.24
                             4287.68  4295.61  4324.13  4342.27  4362.59
                             4483.24  5436.99  5449.47  5452.09  5460.03
                             5463.35
 
 Zero-point correction=                           0.196828 (Hartree/Particle)
 Thermal correction to Energy=                    0.209257
 Thermal correction to Enthalpy=                  0.210202
 Thermal correction to Gibbs Free Energy=         0.159173
 Sum of electronic and zero-point Energies=           -687.313648
 Sum of electronic and thermal Energies=              -687.301219
 Sum of electronic and thermal Enthalpies=            -687.300275
 Sum of electronic and thermal Free Energies=         -687.351304
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  131.311             47.599            107.399
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             41.471
 Rotational               0.889              2.981             30.820
 Vibrational            129.534             41.637             35.108
 Vibration     1          0.598              1.968              4.125
 Vibration     2          0.602              1.955              3.618
 Vibration     3          0.609              1.934              3.122
 Vibration     4          0.615              1.913              2.796
 Vibration     5          0.653              1.793              1.869
 Vibration     6          0.658              1.776              1.790
 Vibration     7          0.664              1.757              1.708
 Vibration     8          0.672              1.733              1.614
 Vibration     9          0.683              1.700              1.500
 Vibration    10          0.693              1.674              1.417
 Vibration    11          0.715              1.608              1.241
 Vibration    12          0.740              1.539              1.089
 Vibration    13          0.751              1.511              1.036
 Vibration    14          0.754              1.501              1.018
 Vibration    15          0.771              1.456              0.939
 Vibration    16          0.783              1.425              0.890
 Vibration    17          0.789              1.411              0.868
 Vibration    18          0.814              1.348              0.779
 Vibration    19          0.873              1.211              0.616
 Vibration    20          0.924              1.101              0.508
 Vibration    21          0.951              1.046              0.461
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.610517D-73        -73.214302       -168.582161
 Total V=0       0.209075D+18         17.320303         39.881472
 Vib (Bot)       0.529663D-87        -87.276000       -200.960417
 Vib (Bot)    1  0.290413D+01          0.463017          1.066135
 Vib (Bot)    2  0.223513D+01          0.349303          0.804301
 Vib (Bot)    3  0.172254D+01          0.236169          0.543800
 Vib (Bot)    4  0.144603D+01          0.160176          0.368818
 Vib (Bot)    5  0.850913D+00         -0.070115         -0.161445
 Vib (Bot)    6  0.810569D+00         -0.091210         -0.210019
 Vib (Bot)    7  0.769738D+00         -0.113657         -0.261705
 Vib (Bot)    8  0.724230D+00         -0.140124         -0.322647
 Vib (Bot)    9  0.671164D+00         -0.173171         -0.398741
 Vib (Bot)   10  0.633872D+00         -0.197998         -0.455908
 Vib (Bot)   11  0.558214D+00         -0.253199         -0.583012
 Vib (Bot)   12  0.495954D+00         -0.304559         -0.701272
 Vib (Bot)   13  0.474394D+00         -0.323861         -0.745717
 Vib (Bot)   14  0.467460D+00         -0.330255         -0.760441
 Vib (Bot)   15  0.436244D+00         -0.360270         -0.829553
 Vib (Bot)   16  0.417253D+00         -0.379601         -0.874063
 Vib (Bot)   17  0.408662D+00         -0.388635         -0.894866
 Vib (Bot)   18  0.374603D+00         -0.426429         -0.981890
 Vib (Bot)   19  0.312561D+00         -0.505065         -1.162956
 Vib (Bot)   20  0.271577D+00         -0.566107         -1.303509
 Vib (Bot)   21  0.253457D+00         -0.596095         -1.372560
 Vib (V=0)       0.181387D+04          3.258605          7.503216
 Vib (V=0)    1  0.344686D+01          0.537424          1.237464
 Vib (V=0)    2  0.279038D+01          0.445663          1.026176
 Vib (V=0)    3  0.229364D+01          0.360525          0.830140
 Vib (V=0)    4  0.203003D+01          0.307502          0.708050
 Vib (V=0)    5  0.148694D+01          0.172294          0.396721
 Vib (V=0)    6  0.145238D+01          0.162079          0.373202
 Vib (V=0)    7  0.141788D+01          0.151638          0.349160
 Vib (V=0)    8  0.138006D+01          0.139899          0.322128
 Vib (V=0)    9  0.133694D+01          0.126111          0.290380
 Vib (V=0)   10  0.130734D+01          0.116388          0.267993
 Vib (V=0)   11  0.124940D+01          0.096702          0.222665
 Vib (V=0)   12  0.120425D+01          0.080717          0.185858
 Vib (V=0)   13  0.118924D+01          0.075269          0.173313
 Vib (V=0)   14  0.118448D+01          0.073529          0.169308
 Vib (V=0)   15  0.116356D+01          0.065788          0.151482
 Vib (V=0)   16  0.115123D+01          0.061162          0.140831
 Vib (V=0)   17  0.114576D+01          0.059093          0.136067
 Vib (V=0)   18  0.112476D+01          0.051060          0.117571
 Vib (V=0)   19  0.108966D+01          0.037289          0.085862
 Vib (V=0)   20  0.106899D+01          0.028975          0.066718
 Vib (V=0)   21  0.106057D+01          0.025540          0.058808
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.949712D+08          7.977592         18.369084
 Rotational      0.121368D+07          6.084106         14.009172
 
                                                          ROA calculations.
                                                             IR Spectrum
 
  33333                     3333222                                    11111111111111111111111111111                                 
  77777                     1000999                                    44444433333332222211111000000 99    7655544443333322222 11    
  99887                     1310885                                    96442298654325544052210876321 21    1396152208863086543 4197  
  75989                     6285601                                    82719244536369160648121555944 20    9138867175184067321 1921  
 
  XXXXX                     XXXXXXX                                    XXXXXXXXXXXXXXXXXXXXXXXXXXXXX XX    XXXXXXXXXXXXXXXXXXX XXXX  
  XXXXX                      X XX X                                      X XX X XXXXXXXX XXXXXXXXXXX  X     XX XXXXXXXXX X   X       
  XXXXX                      X XX X                                      X  X   XXXX XXX XXXXXXX XXX  X     XX X  XXXXXX X           
  XXXXX                      X X  X                                             XXX  X X XXXXXXX XXX  X     X  X  XXXXXX X           
  XXXX                       X X                                                X X    X  XXXXXX  XX              XXXXX  X           
  X X                        X X                                                X      X   XXXXX  XX              XXXXX  X           
  X X                        X X                                                            XXXX   X               XXXX  X           
                             X X                                                            XXXX   X               XXXX  X           
                               X                                                            XXXX   X               XX X              
                                                                                            XXXX   X               XX X              
                                                                                             XXX   X               XX X              
                                                                                             XXX   X               XX                
                                                                                             XXX                   XX                
                                                                                             XXX                   XX                
                                                                                             XXX                    X                
                                                                                             XXX                    X                
                                                                                             XXX                    X                
                                                                                             XXX                                     
                                                                                             X                                       
                                                                                             X                                       
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.000000427   -0.000005974    0.000000246
      2        6           0.000001435    0.000003347    0.000001922
      3        6          -0.000002315   -0.000004778    0.000000377
      4        6          -0.000007077   -0.000005660    0.000000684
      5        8          -0.000003232    0.000004797    0.000002187
      6        6           0.000003325   -0.000001816    0.000002587
      7        8          -0.000000317    0.000006191    0.000000845
      8        1           0.000000967    0.000000416   -0.000000981
      9        8          -0.000001308    0.000004477   -0.000001316
     10        1          -0.000000313   -0.000000594   -0.000000112
     11        1          -0.000000451    0.000000481   -0.000000593
     12        8           0.000000582    0.000003043   -0.000001642
     13        6           0.000001067   -0.000003272    0.000006309
     14        1           0.000002480    0.000001814   -0.000001785
     15        8           0.000001273   -0.000002177   -0.000002997
     16        1           0.000000990   -0.000000729   -0.000000884
     17        1          -0.000001005   -0.000000969   -0.000000086
     18        1           0.000003652   -0.000000538   -0.000000953
     19        1           0.000001521   -0.000000267    0.000001483
     20        8          -0.000003878    0.000005937   -0.000003553
     21        1           0.000000870   -0.000000787    0.000003993
     22        1          -0.000002182   -0.000000231   -0.000000667
     23        1           0.000000034   -0.000002845   -0.000000498
     24        1           0.000004310    0.000000136   -0.000004564
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000007077 RMS     0.000002732
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.107850D+03  0.113910D+01 -0.175817D+01
      2   0.113910D+01  0.101301D+03  0.776106D-01
      3  -0.175817D+01  0.776106D-01  0.851724D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1   0.187500D+01 -0.865664D+01 -0.119752D+01
      2   0.114046D+02 -0.352110D+01  0.138749D+02
      3   0.258115D+01 -0.754200D+01  0.179732D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.186581D+02 -0.129537D+02  0.113738D+02
      2  -0.214115D+02  0.113539D+02  0.867230D+01
      3   0.275337D+01  0.159972D+01 -0.200461D+02
      4  -0.132093D+02 -0.887846D+01 -0.107675D+02
      5  -0.857874D+01 -0.988872D+01  0.278483D+02
      6  -0.764828D+01 -0.999778D+01 -0.464148D+01
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    72 ND12= 1 LenFil=    2595:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.356432D+01  0.532888D+00  0.849647D-01 -0.339880D+00  0.259477D+01
      2   0.532888D+00  0.318725D+01  0.173975D+00  0.259477D+01 -0.148282D+01
      3   0.849647D-01  0.173975D+00  0.108856D+01  0.498234D+00 -0.145875D+01
                 6             7             8             9            10 
      1   0.498234D+00 -0.365951D+00  0.482982D+00  0.129782D+01  0.458823D+01
      2  -0.145875D+01  0.482982D+00 -0.261218D+01 -0.127715D+01 -0.698675D+00
      3  -0.535093D+00  0.129782D+01 -0.127715D+01  0.734140D+01  0.161301D+00
                11            12            13            14            15 
      1  -0.698675D+00  0.161301D+00 -0.949127D+00 -0.267607D+01 -0.244858D+00
      2  -0.229118D+01 -0.780948D-01 -0.267607D+01 -0.415798D+00  0.914751D+00
      3  -0.780948D-01 -0.225713D+01 -0.244858D+00  0.914751D+00  0.156388D+01
                16            17            18            19            20 
      1   0.109259D+01 -0.353305D+00 -0.152844D+01  0.289480D+01 -0.494947D+00
      2  -0.353305D+00  0.155457D+01  0.973360D+00 -0.494947D+00 -0.291706D+01
      3  -0.152844D+01  0.973360D+00 -0.695429D+01  0.103021D+00  0.428862D+00
                21            22            23            24            25 
      1   0.103021D+00 -0.882379D+00 -0.341318D+01  0.170954D+00  0.703268D+00
      2   0.428862D+00 -0.341318D+01  0.795204D+00  0.153539D+01  0.586256D+00
      3  -0.101292D+01  0.170954D+00  0.153539D+01  0.129515D+01 -0.143417D+01
                26            27            28            29            30 
      1   0.586256D+00 -0.143417D+01 -0.166281D+01  0.204509D+01 -0.718798D+00
      2   0.224363D+01  0.100109D+01  0.204509D+01  0.257902D+01 -0.893965D-01
      3   0.100109D+01 -0.678029D+01 -0.718798D+00 -0.893965D-01  0.413280D+00
                31            32            33            34            35 
      1   0.248492D+01  0.353851D+01  0.735688D+00 -0.203554D+01  0.401296D+00
      2   0.353851D+01 -0.105950D+01 -0.168979D+01  0.401296D+00 -0.214499D+01
      3   0.735688D+00 -0.168979D+01 -0.168695D+01  0.342539D+00 -0.661218D+00
                36            37            38            39            40 
      1   0.342539D+00  0.507982D+01 -0.157669D+01 -0.129008D+00 -0.332536D+01
      2  -0.661218D+00 -0.157669D+01 -0.993166D-02 -0.309649D+00 -0.100069D+01
      3   0.677956D+01 -0.129008D+00 -0.309649D+00 -0.396186D+00 -0.246814D+00
                41            42            43            44            45 
      1  -0.100069D+01 -0.246814D+00  0.226118D+01  0.498613D+00  0.202450D+00
      2  -0.369783D+01  0.723755D+00  0.498613D+00  0.143224D+01 -0.442850D+00
      3   0.723755D+00  0.700114D+00  0.202450D+00 -0.442850D+00 -0.721228D+00
                46            47            48            49            50 
      1  -0.466554D+01 -0.712302D+00  0.126382D+00  0.124929D+01  0.250395D+01
      2  -0.712302D+00  0.984535D+00  0.494230D+00  0.250395D+01 -0.940824D+00
      3   0.126382D+00  0.494230D+00  0.148269D+01 -0.122443D+00 -0.107664D+01
                51            52            53            54            55 
      1  -0.122443D+00 -0.948311D+00 -0.101764D+00  0.158963D+01  0.507859D+01
      2  -0.107664D+01 -0.101764D+00 -0.183582D+01 -0.882941D+00 -0.137222D+00
      3  -0.198855D+01  0.158963D+01 -0.882941D+00  0.687588D+01  0.427694D+00
                56            57            58            59            60 
      1  -0.137222D+00  0.427694D+00  0.874652D+00 -0.139406D+01 -0.362980D+00
      2   0.591562D+00  0.269826D+00 -0.139406D+01  0.674001D+01  0.179666D+01
      3   0.269826D+00  0.502974D+00 -0.362980D+00  0.179666D+01  0.307850D+00
                61            62            63            64            65 
      1   0.135168D+01 -0.846691D+00 -0.641137D+00 -0.164101D+00  0.605147D-01
      2  -0.846691D+00  0.295691D+01  0.186326D+01  0.605147D-01 -0.861986D+00
      3  -0.641137D+00  0.186326D+01  0.761976D+00 -0.113091D+01  0.136323D+00
                66            67            68            69            70 
      1  -0.113091D+01  0.237948D+00 -0.710580D+00  0.105107D+00 -0.196797D+01
      2   0.136323D+00 -0.710580D+00  0.782040D+00 -0.103161D+01  0.315775D+00
      3  -0.819966D+00  0.105107D+00 -0.103161D+01  0.648071D+00 -0.964692D+00
                71            72            73            74            75 
      1   0.315775D+00 -0.964692D+00 -0.670195D+01  0.224532D+01 -0.259377D+00
      2  -0.181127D+01  0.990453D+00  0.224532D+01  0.857059D+00 -0.498934D+00
      3   0.990453D+00 -0.697044D+01 -0.259377D+00 -0.498934D+00  0.631731D+00
                76            77            78            79            80 
      1   0.505676D+01  0.563100D+00 -0.621479D+00 -0.254347D+01 -0.613605D+00
      2   0.563100D+00  0.358041D+01 -0.922692D+00 -0.613605D+00 -0.136270D+01
      3  -0.621479D+00 -0.922692D+00  0.633846D+00 -0.779937D+00  0.413644D+00
                81            82            83            84            85 
      1  -0.779937D+00 -0.116684D-01  0.158041D-01  0.112177D+01 -0.145032D+00
      2   0.413644D+00  0.158041D-01  0.576865D+00 -0.212546D-01  0.565131D+00
      3  -0.625166D-01  0.112177D+01 -0.212546D-01  0.785607D+00 -0.189871D-01
                86            87            88            89            90 
      1   0.565131D+00 -0.189871D-01  0.194144D+01  0.111827D+00  0.641599D-01
      2  -0.485277D+00  0.874390D+00  0.111827D+00  0.151704D+01 -0.628758D+00
      3   0.874390D+00 -0.871010D+00  0.641599D-01 -0.628758D+00  0.737197D+01
                91            92            93            94            95 
      1   0.365388D+00 -0.954809D-01  0.110945D+01  0.484315D-01  0.856656D+00
      2  -0.954809D-01  0.906424D+00  0.494791D-01  0.856656D+00 -0.289993D+00
      3   0.110945D+01  0.494791D-01  0.705648D+00  0.529435D-01  0.836484D+00
                96            97            98            99           100 
      1   0.529435D-01  0.209363D+01 -0.151348D+00  0.112027D+01  0.390696D+01
      2   0.836484D+00 -0.151348D+00  0.167940D+01  0.359923D-03  0.190787D+01
      3  -0.145308D+00  0.112027D+01  0.359923D-03  0.656334D+01 -0.116104D+01
               101           102           103           104           105 
      1   0.190787D+01 -0.116104D+01  0.874058D+00  0.341112D+01 -0.600958D-01
      2   0.430445D+01 -0.854450D-01  0.341112D+01 -0.670123D+00 -0.175898D+01
      3  -0.854450D-01  0.674587D+00 -0.600958D-01 -0.175898D+01 -0.742352D+00
               106           107           108           109           110 
      1  -0.168569D+01 -0.681091D+00  0.139954D+01  0.253042D+01 -0.208530D+01
      2  -0.681091D+00 -0.362785D+01  0.707301D+00 -0.208530D+01 -0.235681D+01
      3   0.139954D+01  0.707301D+00 -0.660358D+00  0.149085D+01 -0.194940D+00
               111           112           113           114           115 
      1   0.149085D+01 -0.173921D+01 -0.389339D+01 -0.550374D+00  0.267517D+01
      2  -0.194940D+00 -0.389339D+01  0.880673D+00  0.348806D+01 -0.756810D+00
      3  -0.872905D+00 -0.550374D+00  0.348806D+01  0.195651D+01 -0.299011D+01
               116           117           118           119           120 
      1  -0.756810D+00 -0.299011D+01  0.370785D+00 -0.146622D+00 -0.133968D+01
      2   0.351293D+01  0.247107D+01 -0.146622D+00 -0.430083D+00  0.579126D-01
      3   0.247107D+01 -0.929421D+00 -0.133968D+01  0.579126D-01 -0.286214D+00
               121           122           123           124           125 
      1  -0.905883D-01 -0.383406D+00 -0.210419D+00 -0.197015D+01 -0.247198D+00
      2  -0.383406D+00  0.624443D+00 -0.102548D+01 -0.247198D+00 -0.139078D+01
      3  -0.210419D+00 -0.102548D+01  0.596431D+00  0.499429D+00  0.339960D+00
               126           127           128           129           130 
      1   0.499429D+00 -0.257481D+01 -0.183391D+01  0.893446D+00 -0.148734D+01
      2   0.339960D+00 -0.183391D+01 -0.338313D+01 -0.228556D+00 -0.239471D+01
      3  -0.818993D+01  0.893446D+00 -0.228556D+00 -0.422228D+00 -0.908989D-01
               131           132           133           134           135 
      1  -0.239471D+01 -0.908989D-01  0.191833D+01  0.616093D+00 -0.110972D+01
      2   0.180676D+01  0.237330D+01  0.616093D+00  0.512597D+01 -0.773198D-01
      3   0.237330D+01  0.995971D+00 -0.110972D+01 -0.773198D-01  0.116848D+01
               136           137           138           139           140 
      1  -0.529617D+00 -0.615149D-01 -0.134621D+01  0.159360D-01 -0.595521D+00
      2  -0.615149D-01 -0.382768D+00 -0.293362D+00 -0.595521D+00  0.160028D+00
      3  -0.134621D+01 -0.293362D+00 -0.914859D+00  0.685401D-01 -0.907784D+00
               141           142           143           144           145 
      1   0.685401D-01 -0.235956D+01 -0.512741D+00 -0.139398D+01 -0.727974D+01
      2  -0.907784D+00 -0.512741D+00 -0.154813D+01 -0.419914D+00  0.260976D+01
      3   0.491116D+00 -0.139398D+01 -0.419914D+00 -0.747447D+01  0.606479D+00
               146           147           148           149           150 
      1   0.260976D+01  0.606479D+00  0.130719D+01 -0.126418D+01 -0.128807D+00
      2  -0.297599D+01 -0.556614D+00 -0.126418D+01  0.115553D+01 -0.112987D-01
      3  -0.556614D+00 -0.115353D+01 -0.128807D+00 -0.112987D-01  0.438645D+00
               151           152           153           154           155 
      1  -0.168837D+00  0.952922D-02 -0.684765D+00 -0.475755D+01 -0.214493D+01
      2   0.952922D-02 -0.194405D+00  0.485492D+00 -0.214493D+01 -0.207664D+01
      3  -0.684765D+00  0.485492D+00  0.440989D+00  0.669497D+00  0.428867D+00
               156           157           158           159           160 
      1   0.669497D+00 -0.422757D+01 -0.248069D+01  0.627012D+00  0.152783D+01
      2   0.428867D+00 -0.248069D+01 -0.315499D+01  0.669275D+00  0.794113D+00
      3  -0.102927D+01  0.627012D+00  0.669275D+00 -0.834582D+00 -0.112994D+01
               161           162           163           164           165 
      1   0.794113D+00 -0.112994D+01 -0.649322D+00  0.711074D+00  0.338166D+00
      2   0.100382D+01 -0.586074D+00  0.711074D+00 -0.182103D+01 -0.111060D+00
      3  -0.586074D+00  0.519069D+00  0.338166D+00 -0.111060D+00 -0.245394D+00
               166           167           168           169           170 
      1   0.147765D+01 -0.652419D-01 -0.197276D+00  0.606071D+00 -0.241021D-01
      2  -0.652419D-01  0.766034D+01  0.717300D+00 -0.241021D-01  0.194331D+01
      3  -0.197276D+00  0.717300D+00  0.129354D+01 -0.705957D-01  0.105676D+01
               171           172           173           174           175 
      1  -0.705957D-01  0.356694D+01  0.719209D+00  0.158706D+01  0.159860D+01
      2   0.105676D+01  0.719209D+00  0.198217D+01 -0.110648D+01  0.188832D+01
      3   0.238717D+00  0.158706D+01 -0.110648D+01  0.228723D+01 -0.539606D+00
               176           177           178           179           180 
      1   0.188832D+01 -0.539606D+00  0.141852D+01 -0.733581D+00  0.331364D+01
      2   0.156857D+01  0.956575D-01 -0.733581D+00 -0.378018D+00 -0.825368D+00
      3   0.956575D-01  0.119795D+01  0.331364D+01 -0.825368D+00  0.389839D+01
               181           182           183           184           185 
      1   0.411428D+01  0.225426D+01 -0.107992D+01  0.389447D+01  0.224517D+01
      2   0.225426D+01  0.181828D+01 -0.360556D+00  0.224517D+01  0.343639D+01
      3  -0.107992D+01 -0.360556D+00  0.108397D+01 -0.590192D+00 -0.127729D+01
               186           187           188           189           190 
      1  -0.590192D+00 -0.145770D+01 -0.343135D+00  0.136626D+01  0.202399D+01
      2  -0.127729D+01 -0.343135D+00 -0.105838D+01  0.750175D+00 -0.142048D+01
      3   0.113246D+01  0.136626D+01  0.750175D+00 -0.806908D+00 -0.149532D+01
               191           192           193           194           195 
      1  -0.142048D+01 -0.149532D+01 -0.280137D+01  0.299892D+01  0.131651D+01
      2   0.143801D+01  0.636773D+00  0.299892D+01 -0.499497D+01 -0.266752D+01
      3   0.636773D+00  0.100963D+01  0.131651D+01 -0.266752D+01 -0.297003D+01
               196           197           198           199           200 
      1  -0.223245D+01  0.128310D+01  0.184525D+01 -0.148393D+00 -0.769580D+00
      2   0.128310D+01 -0.242987D+01 -0.241899D+01 -0.769580D+00  0.178350D+01
      3   0.184525D+01 -0.241899D+01 -0.337229D+01 -0.318697D+00  0.378966D+00
               201           202           203           204           205 
      1  -0.318697D+00 -0.115951D+01 -0.162076D+00  0.136402D+00 -0.660300D+00
      2   0.378966D+00 -0.162076D+00 -0.898772D+01 -0.173323D+01 -0.824772D-01
      3   0.238675D+00  0.136402D+00 -0.173323D+01 -0.156503D+01  0.143770D-01
               206           207           208           209           210 
      1  -0.824772D-01  0.143770D-01 -0.181037D+01 -0.924134D+00  0.258896D+00
      2  -0.394021D+01 -0.185743D+01 -0.924134D+00 -0.150250D+01  0.879131D+00
      3  -0.185743D+01 -0.102483D+01  0.258896D+00  0.879131D+00 -0.149397D+01
               211           212           213           214           215 
      1  -0.197253D+01 -0.731846D+00  0.273840D+00  0.806224D+00  0.348262D+00
      2  -0.731846D+00 -0.301056D+01  0.153605D+01  0.348262D+00  0.136477D+01
      3   0.273840D+00  0.153605D+01 -0.191263D+01 -0.327887D+00 -0.974901D+00
               216 
      1  -0.327887D+00
      2  -0.974901D+00
      3   0.198721D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.389992D-02  0.102051D+00 -0.223413D+01 -0.680762D+00  0.812586D+00
      2  -0.257884D+00 -0.119585D+00 -0.115427D+00  0.391798D+00  0.169761D+01
      3  -0.219868D+01 -0.474598D+00 -0.133311D+00  0.453427D+01  0.135422D+01
                 6             7             8             9            10 
      1   0.115385D+01 -0.123469D+01  0.440553D+01 -0.643825D+01 -0.430224D+00
      2   0.133089D+01 -0.374880D+01  0.532179D+00 -0.470794D+01 -0.191949D+01
      3  -0.549670D+00  0.117082D+00 -0.165011D+01  0.227674D+00 -0.194619D+01
                11            12            13            14            15 
      1  -0.109577D+01 -0.564475D+00  0.262615D+00  0.927172D-01 -0.191528D+01
      2  -0.661544D+00  0.231393D+01 -0.182870D-01 -0.156272D+01 -0.265404D+01
      3  -0.520466D+01 -0.103929D+00  0.241191D+00  0.377306D+00  0.168084D+01
                16            17            18            19            20 
      1  -0.920362D+00  0.372722D+01 -0.119979D+01 -0.975170D-01 -0.289339D+00
      2  -0.140979D+01 -0.149602D+01  0.952636D+01 -0.264136D+00  0.831879D+00
      3  -0.439751D+00  0.223811D+01  0.195176D+01  0.289345D+01 -0.117224D+01
                21            22            23            24            25 
      1   0.264716D+01 -0.741469D-01 -0.190620D+01 -0.182203D+01  0.228450D+01
      2   0.100905D+01 -0.795616D+00  0.716266D+00 -0.484816D+00 -0.457077D+01
      3  -0.238326D+00  0.435294D+01 -0.448763D+01 -0.213557D+01  0.106405D+00
                26            27            28            29            30 
      1   0.202843D+01  0.546246D+01 -0.196302D+01 -0.838829D+00  0.104194D+01
      2   0.446850D+00 -0.293936D+01 -0.630453D+01  0.334622D+01 -0.463385D+00
      3  -0.110572D+01 -0.242918D+01 -0.630256D+01 -0.838072D+01 -0.626201D+00
                31            32            33            34            35 
      1  -0.901758D+00  0.391699D+00  0.175306D+01  0.104675D+00  0.404753D+01
      2   0.233814D+01 -0.112962D+01 -0.354234D+01 -0.496986D+01  0.198111D+00
      3  -0.488445D+01  0.107809D+01  0.332248D+01  0.208732D+00  0.295168D+01
                36            37            38            39            40 
      1  -0.533822D+00  0.137680D+01  0.126674D+00 -0.160009D+01  0.137386D+01
      2   0.105391D+02  0.330855D+01 -0.719863D+00  0.874901D+01 -0.200167D+01
      3   0.176301D+01 -0.751981D+01 -0.411920D+01  0.133663D+00  0.143729D+02
                41            42            43            44            45 
      1   0.237754D+01 -0.561346D+01  0.184719D+01  0.201724D+01  0.958581D+00
      2  -0.120087D+01  0.163923D+01 -0.461323D+01 -0.119303D+01  0.222701D+00
      3   0.518515D+01 -0.364505D+00 -0.264262D+01 -0.132326D+01 -0.352015D+00
                46            47            48            49            50 
      1   0.588342D+00 -0.930862D+00  0.217510D+01 -0.898098D+00 -0.250905D+01
      2  -0.257283D+01 -0.116695D+01 -0.533993D+01 -0.632226D-01  0.263831D+01
      3   0.556976D+01  0.371885D+01 -0.135076D+00  0.239691D+01 -0.173027D+01
                51            52            53            54            55 
      1  -0.490541D+00  0.435746D+00  0.153687D+01  0.728410D+01 -0.874868D+00
      2   0.139152D+01 -0.607519D+01 -0.516664D+00 -0.838748D+01 -0.543045D+01
      3  -0.195866D+01  0.926699D+00 -0.138187D+01 -0.316985D+01  0.164492D+02
                56            57            58            59            60 
      1   0.286052D+00 -0.381463D+00  0.176149D+01 -0.204598D+01 -0.618597D+01
      2   0.210449D+01  0.183302D+01  0.353859D+00 -0.252531D+01 -0.169059D+01
      3  -0.284053D+01 -0.625282D-01  0.557430D+01  0.666494D+01  0.902295D+00
                61            62            63            64            65 
      1   0.471084D+00  0.690697D+00 -0.303856D+01  0.120991D+01  0.326435D+00
      2  -0.351329D+01 -0.148867D+01 -0.152320D+01  0.911351D+00 -0.385387D+00
      3   0.303403D+01  0.270684D+01  0.112932D+01 -0.143574D+00 -0.163814D+01
                66            67            68            69            70 
      1   0.702166D+00  0.148271D-01  0.127964D+01 -0.108930D+01  0.788385D+00
      2   0.166514D+01  0.355786D-01  0.523409D+00 -0.224578D+00 -0.301315D+01
      3  -0.105682D+01  0.760528D+00 -0.178096D+00 -0.794121D+00 -0.254474D+01
                71            72            73            74            75 
      1   0.312126D+01  0.856116D+01  0.575205D+00 -0.618960D-01  0.561648D+00
      2  -0.437598D+00  0.609766D+01  0.427002D+01  0.203163D+01  0.471810D+01
      3  -0.170775D+01 -0.919466D-01  0.936859D+01 -0.228212D+01 -0.216358D+01
                76            77            78            79            80 
      1  -0.107103D+01  0.104198D+01 -0.183733D+01  0.840866D+00  0.267837D+01
      2   0.183603D+01  0.269143D+01 -0.313673D+01 -0.190812D+01 -0.175216D+01
      3   0.755883D+01  0.158291D+02 -0.276711D+01 -0.215922D+01 -0.520459D+01
                81            82            83            84            85 
      1  -0.303326D-01  0.212122D+00  0.805617D+00  0.203538D+00  0.511549D+00
      2   0.225260D+01 -0.298061D+01  0.110220D+00 -0.113251D+01  0.519062D+00
      3   0.139258D+01 -0.151812D-01 -0.436294D-01 -0.228566D+00  0.171348D+01
                86            87            88            89            90 
      1  -0.322054D+00 -0.121375D+01  0.160861D+00  0.348455D+01  0.930118D+00
      2  -0.154404D+01  0.126794D+01 -0.435221D+01  0.759348D+00 -0.108980D+02
      3  -0.664268D+00  0.128780D+01 -0.431594D+00  0.214428D+01 -0.516823D+00
                91            92            93            94            95 
      1  -0.157951D+01  0.611475D+00 -0.907732D+00  0.249808D+00 -0.132872D+01
      2   0.344781D+00  0.444095D+00  0.550213D+00  0.730535D+00  0.230825D+00
      3   0.896940D+00 -0.171776D+01  0.117616D+01  0.358065D+00  0.799812D+00
                96            97            98            99           100 
      1  -0.127942D+00 -0.170498D+01  0.364049D+01 -0.706982D+01  0.211887D+01
      2   0.397072D-01 -0.336350D+01  0.320130D+00  0.384820D+01 -0.138236D+00
      3  -0.564275D+00  0.240315D+01 -0.172035D+01  0.114817D+01  0.806056D+01
               101           102           103           104           105 
      1  -0.191782D+01 -0.351092D+01 -0.718420D+00  0.685674D+01 -0.166858D+01
      2  -0.330182D+00  0.426845D+01  0.927480D+00 -0.123989D+01  0.112117D+01
      3  -0.946447D+01 -0.229411D+01  0.316527D-02  0.952801D+01  0.288138D+01
               106           107           108           109           110 
      1  -0.247336D+01  0.471879D+01  0.342362D+01  0.289860D+01  0.118540D+01
      2  -0.124218D+01  0.682428D+00 -0.140215D+01  0.882545D+01 -0.322583D+01
      3  -0.456370D+01  0.486487D+01  0.195335D+01  0.646051D+01  0.715091D+01
               111           112           113           114           115 
      1  -0.101615D+01  0.137362D+01  0.157585D+01 -0.350038D+01 -0.129346D+01
      2   0.736214D+00 -0.367909D+01  0.788464D+01  0.591159D+01 -0.789827D+01
      3  -0.206098D+00  0.166264D+02 -0.380770D+00 -0.908670D+01  0.533791D+00
               116           117           118           119           120 
      1  -0.206115D+01 -0.235419D+01 -0.393637D-01  0.958726D+00  0.332274D+00
      2   0.650303D+01 -0.493136D+01 -0.240820D+01 -0.222622D+00 -0.325099D+00
      3  -0.902277D+01 -0.540178D+01  0.270944D+00  0.900551D-01  0.246275D+00
               121           122           123           124           125 
      1   0.245861D+00 -0.147105D+01 -0.294518D-01  0.253334D+00  0.441795D+01
      2  -0.471644D-01 -0.199414D+01  0.809735D+00 -0.520787D+01  0.355275D+00
      3   0.214880D+01 -0.160769D+01  0.156016D+01  0.585411D+00  0.224915D+01
               126           127           128           129           130 
      1  -0.979074D+00  0.169609D+01 -0.384468D+00 -0.310020D+01  0.845584D+00
      2  -0.116185D+02 -0.227487D+01 -0.139465D+00  0.431540D+01  0.414520D+00
      3  -0.152264D+01  0.537579D+01 -0.700152D+01 -0.254915D+01  0.392331D+01
               131           132           133           134           135 
      1   0.104655D+02 -0.226651D+01 -0.176224D+01  0.535874D+01  0.551801D+01
      2  -0.424372D+01  0.546433D+00 -0.442418D+00  0.179504D+00 -0.260565D+01
      3   0.871382D+01  0.432779D+01 -0.526885D+01  0.804299D+01  0.293006D+01
               136           137           138           139           140 
      1  -0.185271D+01  0.120327D+00 -0.915072D+00  0.504280D+00 -0.180350D+01
      2   0.103588D+01  0.588535D+00  0.141650D+01  0.703359D+00  0.731097D+00
      3   0.107173D+01 -0.171196D+01  0.163986D+01 -0.790565D-02  0.160638D+01
               141           142           143           144           145 
      1   0.544246D+00 -0.807422D+00  0.470717D+01 -0.834377D+01 -0.236224D+00
      2  -0.104700D+01 -0.330129D+01 -0.147315D+00  0.888337D+01  0.453989D+01
      3  -0.100870D+01  0.311417D+01 -0.169858D+01  0.228947D+01 -0.182163D+02
               146           147           148           149           150 
      1  -0.252712D+00  0.281275D+01 -0.168472D+00  0.158866D+00 -0.824964D+00
      2  -0.933644D+00  0.257274D+01 -0.642834D+00  0.774624D+00 -0.709612D+00
      3  -0.191493D+00  0.681462D+00  0.131074D+01 -0.264624D+01 -0.622132D+00
               151           152           153           154           155 
      1   0.143097D+01 -0.221251D+00 -0.752722D+00 -0.444516D-01  0.446124D-01
      2   0.525949D+00 -0.735976D+00 -0.292346D+00 -0.210621D+01 -0.153107D+01
      3  -0.881032D+00 -0.543212D+00 -0.769355D+00 -0.723306D+01 -0.787370D+01
               156           157           158           159           160 
      1  -0.658288D+00  0.348439D+00 -0.818868D+00 -0.855484D+00 -0.288263D+00
      2   0.355340D+01 -0.218757D+01 -0.240111D+01  0.345701D+01  0.233907D+01
      3   0.169457D+01 -0.734559D+01 -0.133278D+02  0.239407D+01  0.292171D+01
               161           162           163           164           165 
      1   0.748915D+00  0.348206D+00 -0.161771D+01  0.185351D+01  0.143046D+01
      2   0.185669D+01 -0.144760D+01  0.214191D+00  0.175082D-01 -0.484523D+00
      3   0.388839D+01 -0.167227D+01 -0.488463D+01  0.494205D+01  0.173559D+01
               166           167           168           169           170 
      1   0.110239D+01 -0.649601D+01 -0.480977D+01  0.562001D+00 -0.304551D+01
      2  -0.584829D-01  0.725060D+00  0.119180D+01 -0.109560D+01  0.109538D+01
      3   0.595918D+01 -0.131601D+02 -0.217455D+01  0.276381D+01 -0.382049D+01
               171           172           173           174           175 
      1  -0.149272D+01  0.236515D+01  0.275827D+01  0.162235D+01  0.142864D+01
      2   0.340953D+00 -0.567857D+00 -0.560221D+01  0.115811D+02 -0.415329D+01
      3  -0.183395D+01 -0.742144D+01 -0.100049D+02  0.277919D+01 -0.602450D+01
               176           177           178           179           180 
      1   0.349226D+01 -0.346370D+01  0.583253D+00  0.447172D+01  0.497658D+01
      2  -0.214078D+01  0.373676D+01  0.435423D+01 -0.396853D+00  0.132325D+02
      3  -0.556118D+01  0.243859D+00  0.153733D+01  0.511459D+00 -0.201393D+00
               181           182           183           184           185 
      1  -0.198208D+01 -0.148713D+01 -0.301680D+00 -0.165279D+01 -0.312162D+01
      2  -0.815062D+00  0.125307D+00  0.376746D+01  0.104966D+01 -0.259163D+01
      3  -0.811249D+01 -0.769509D+01  0.168558D+01 -0.643792D+01 -0.138487D+02
               186           187           188           189           190 
      1   0.327126D-01  0.342887D+00  0.215258D+01 -0.590701D+00  0.119381D+00
      2   0.409680D+01  0.182757D+01  0.203986D+01 -0.141782D+01 -0.290603D+01
      3   0.418689D+01  0.139903D+01  0.372852D+01 -0.279783D+01  0.226247D+01
               191           192           193           194           195 
      1  -0.100452D+01  0.840000D+00 -0.122391D+01  0.291828D+01 -0.231335D+01
      2   0.118228D+01  0.270289D+01  0.872154D+00 -0.561701D+01 -0.877151D+01
      3  -0.447768D+01 -0.999939D+00 -0.407933D+01  0.129213D+02  0.662593D+01
               196           197           198           199           200 
      1   0.432435D+00  0.142231D+01 -0.169671D+01 -0.442920D+00  0.169177D+01
      2   0.192675D+01 -0.608728D+01 -0.888985D+01  0.757296D+00 -0.297072D+00
      3  -0.123008D+01  0.643385D+01  0.577854D+01 -0.220173D+01  0.396808D+01
               201           202           203           204           205 
      1   0.144609D+01  0.428974D+00 -0.681169D+01 -0.570932D+01  0.296550D+00
      2  -0.170354D+00 -0.615818D+00  0.253373D+01  0.207289D+01 -0.984189D+00
      3   0.145622D+01  0.419114D+01 -0.148038D+02 -0.361496D+01  0.226516D+01
               206           207           208           209           210 
      1  -0.523605D+01 -0.325866D+01 -0.200377D+01 -0.260755D+01 -0.625276D+00
      2   0.250181D+01  0.129738D+01  0.585900D+01  0.459267D+01 -0.513341D+01
      3  -0.660972D+01 -0.329381D+01  0.694692D+01  0.576964D+01 -0.247052D+01
               211           212           213           214           215 
      1  -0.218259D+01 -0.286830D+01 -0.334743D+00  0.218821D+00  0.184246D+01
      2   0.409086D+01  0.704386D+01 -0.635226D+01 -0.319361D+01 -0.378780D+01
      3   0.668327D+01  0.890728D+01 -0.465287D+01 -0.175494D+01 -0.397170D+01
               216 
      1   0.355900D+00
      2   0.570078D+01
      3   0.348891D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.477879D+01 -0.634967D+01 -0.438005D+00 -0.347807D+01  0.466760D+01
      2  -0.170667D+01  0.926051D+01  0.271133D+00  0.596625D+01 -0.123690D+02
      3  -0.307212D+01 -0.291084D+01  0.166872D+00 -0.248819D+01  0.770141D+01
      4  -0.254013D+01 -0.511827D+01  0.537077D-01 -0.984861D+01  0.776576D+01
      5   0.108697D+01 -0.149616D+01 -0.323551D+01 -0.332370D+01  0.164941D+01
      6   0.144062D+01  0.186118D+01  0.542943D+01  0.271204D+01 -0.704261D+01
                 6             7             8             9            10 
      1   0.342872D+01  0.134632D+01  0.430162D+01  0.526907D+01 -0.261636D+02
      2  -0.204071D+01  0.279546D+01 -0.107201D+02  0.312370D+01  0.139938D+02
      3  -0.138801D+01 -0.414178D+01  0.641844D+01 -0.839277D+01  0.121698D+02
      4   0.247662D+01 -0.230918D+01  0.636356D+01  0.490474D+01  0.357127D+01
      5   0.348481D+01 -0.304578D+01  0.311909D+01 -0.148348D+02 -0.118637D+01
      6  -0.728994D+01  0.416405D+01 -0.489426D+01  0.180135D+02 -0.411902D+00
                11            12            13            14            15 
      1  -0.896045D+00  0.142893D+01  0.317895D+01  0.861033D+01  0.613408D-01
      2   0.266009D+01  0.161184D+01 -0.170455D+01 -0.346525D+01 -0.112586D+01
      3  -0.176404D+01 -0.304077D+01 -0.147441D+01 -0.514508D+01  0.106452D+01
      4  -0.784654D-01  0.496981D-01  0.780617D+01  0.609050D+00 -0.229249D+01
      5  -0.109232D+00 -0.285792D+00  0.117079D+01 -0.165971D+01 -0.483334D+01
      6   0.267950D+00  0.185367D+01 -0.926842D+00 -0.565131D-01  0.232148D+00
                16            17            18            19            20 
      1  -0.496756D+01  0.162378D+01  0.122859D+02 -0.162472D+01  0.514809D+01
      2   0.307261D+01 -0.422902D+01  0.190133D+01 -0.228325D+00 -0.983788D+01
      3   0.189495D+01  0.260524D+01 -0.141873D+02  0.185305D+01  0.468979D+01
      4   0.212262D+01 -0.300533D+01 -0.263203D+01 -0.108848D+01 -0.777183D+01
      5   0.597401D+01 -0.282417D+01  0.202522D+02  0.156732D+01  0.259604D+01
      6   0.642410D+00  0.114184D+00  0.486124D+01 -0.304252D+00  0.376841D+01
                21            22            23            24            25 
      1  -0.143268D+01  0.184828D+01 -0.236779D+01 -0.324301D+01  0.145377D+01
      2   0.482869D+00 -0.657528D+01 -0.832951D+00  0.292113D+01  0.325814D+01
      3   0.949809D+00  0.472700D+01  0.320074D+01  0.321884D+00 -0.471191D+01
      4   0.106705D+01 -0.111846D+02 -0.592376D+01  0.165892D+01  0.373692D+01
      5  -0.381226D+01  0.164987D+01  0.321482D+01 -0.376251D+00 -0.232778D+01
      6  -0.553965D+01  0.271498D+01  0.466832D+01 -0.232811D+01 -0.344557D+01
                26            27            28            29            30 
      1  -0.162033D+01 -0.171190D+01 -0.145709D+02  0.718035D+01 -0.121369D+01
      2   0.556952D+01  0.583227D+01  0.672705D+01 -0.794204D+01  0.179231D+01
      3  -0.394919D+01 -0.412037D+01  0.784387D+01  0.761687D+00 -0.578618D+00
      4   0.615456D+01 -0.897169D+00  0.160073D-02 -0.176699D+01 -0.967357D-01
      5   0.622929D+00 -0.957691D+01 -0.251748D+01 -0.889212D+00 -0.120209D+01
      6   0.105393D+01 -0.139969D+02  0.212624D-01 -0.232028D+01 -0.800027D+00
                31            32            33            34            35 
      1   0.390077D+01  0.105898D+02 -0.306385D+01 -0.550015D+01 -0.197184D+00
      2  -0.277789D+01 -0.111436D+02 -0.367819D+01  0.293882D+01 -0.592653D+00
      3  -0.112288D+01  0.553830D+00  0.674204D+01  0.256133D+01  0.789837D+00
      4  -0.284191D+01 -0.778105D+01 -0.463212D+01  0.406988D+01 -0.218213D+01
      5   0.160846D+01 -0.694682D+01 -0.732708D+01  0.244759D-01 -0.207176D+01
      6  -0.380349D+01  0.319295D+01 -0.610169D+00 -0.108066D+01  0.957890D+00
                36            37            38            39            40 
      1   0.153489D+02  0.112908D+02 -0.244495D+01  0.141451D+01 -0.113948D+01
      2   0.117175D+02 -0.684207D+01  0.178223D+01 -0.151927D+01  0.171628D+01
      3  -0.270664D+02 -0.444869D+01  0.662720D+00  0.104761D+00 -0.576799D+00
      4  -0.264302D+01 -0.914096D+01  0.125361D+02 -0.221032D+00  0.125336D+02
      5   0.175169D+02  0.190491D+01  0.309855D+00  0.145094D+02 -0.109892D+01
      6   0.254051D+00  0.939288D+00  0.628018D+00  0.430738D+01  0.106726D+01
                41            42            43            44            45 
      1  -0.123474D+02  0.281058D+01  0.323903D+01  0.195346D+01 -0.449277D+01
      2   0.181380D+02  0.111310D+01 -0.385885D+01 -0.311787D+01 -0.243786D+01
      3  -0.579056D+01 -0.392367D+01  0.619820D+00  0.116441D+01  0.693064D+01
      4  -0.687657D+00  0.607408D+00 -0.537975D+01 -0.745718D+00 -0.194295D+01
      5   0.169371D+01  0.239172D+01  0.434998D+01 -0.156387D+01  0.136591D+01
      6  -0.229309D+00  0.573455D+01 -0.156118D+01  0.476429D+01  0.291664D-01
                46            47            48            49            50 
      1  -0.107491D+02  0.558759D+01  0.252853D+01 -0.263785D+01 -0.336010D+01
      2   0.919356D+01 -0.687819D+01  0.104686D+01 -0.418006D+01 -0.322177D+01
      3   0.155553D+01  0.129060D+01 -0.357538D+01  0.681791D+01  0.658187D+01
      4   0.617766D+01 -0.125579D+02 -0.132298D+01 -0.147971D+02 -0.799630D+01
      5   0.137608D+01 -0.101816D+00 -0.136671D+02  0.146720D+01  0.172967D+01
      6  -0.270747D+00  0.944723D+00 -0.797097D+01  0.293473D+00  0.463351D+01
                51            52            53            54            55 
      1  -0.394432D+01  0.354913D+01 -0.364229D+01  0.401612D+01 -0.141997D+02
      2  -0.614909D+00  0.301824D+01  0.687543D+01  0.142105D+02  0.595456D+01
      3   0.455923D+01 -0.656738D+01 -0.323314D+01 -0.182266D+02  0.824519D+01
      4   0.236476D+01  0.279443D+01  0.544704D+01 -0.120381D+00  0.216241D+02
      5   0.179080D+01 -0.575312D+01  0.970532D+00 -0.181437D+02  0.137480D+01
      6  -0.211252D+01 -0.334560D+01  0.168402D+01 -0.173871D+02  0.219023D+01
                56            57            58            59            60 
      1   0.278854D+01 -0.646889D+00  0.273693D+01 -0.239265D+02 -0.725128D+01
      2  -0.103511D+01  0.163284D+01 -0.569032D+01  0.398841D+02  0.569931D+01
      3  -0.175342D+01 -0.985955D+00  0.295338D+01 -0.159576D+02  0.155197D+01
      4   0.113616D+01  0.729211D+00  0.108241D+02 -0.198692D+02 -0.500095D+01
      5  -0.484351D+00  0.370571D+01  0.203980D+01 -0.357477D+01 -0.234639D+01
      6   0.503802D-01  0.222644D+00 -0.257215D+01  0.124136D+02  0.121239D+02
                61            62            63            64            65 
      1  -0.124183D+01 -0.929938D+01 -0.874532D+01  0.111722D+01  0.765371D+00
      2  -0.122436D+01  0.128203D+02  0.339067D+01 -0.306929D+01 -0.149663D+01
      3   0.246619D+01 -0.352096D+01  0.535465D+01  0.195207D+01  0.731260D+00
      4   0.685140D+01 -0.923667D+01 -0.526560D+01 -0.145284D+01  0.346471D+01
      5   0.555708D+01 -0.510041D+01 -0.361219D+01  0.414918D+01 -0.122969D+01
      6  -0.331244D+01  0.151423D+02  0.809441D+01 -0.353143D+01  0.441282D+00
                66            67            68            69            70 
      1   0.186579D+01  0.892758D+00 -0.349626D+01  0.279047D+01  0.148130D+01
      2  -0.238021D+01 -0.154733D+01  0.277733D+01 -0.286166D+01 -0.264724D+01
      3   0.514414D+00  0.654570D+00  0.718923D+00  0.711927D-01  0.116593D+01
      4  -0.312269D+01  0.323641D+01 -0.269559D+01  0.257113D+01 -0.461561D+01
      5   0.778912D+01 -0.270109D+00  0.253272D+01 -0.136133D+01  0.623461D+01
      6  -0.214381D+01  0.100947D+01 -0.418181D+01  0.712184D+01 -0.331046D+01
                71            72            73            74            75 
      1   0.417836D+01 -0.115255D+02  0.463054D+02 -0.141017D+02  0.298095D+01
      2  -0.365012D+01 -0.107402D+02 -0.277406D+02  0.692747D+01 -0.209755D+01
      3  -0.528240D+00  0.222656D+02 -0.185648D+02  0.717422D+01 -0.883402D+00
      4   0.409944D+01 -0.365619D+01 -0.171684D+02  0.241616D+01  0.287069D+01
      5  -0.247542D+01  0.169900D+02  0.520216D+01  0.375010D+01  0.886197D+01
      6   0.679648D+01 -0.215905D+02  0.634562D+00  0.374986D+00 -0.156446D+01
                76            77            78            79            80 
      1  -0.297365D+02 -0.829318D+01  0.349721D+01  0.159241D+02  0.333674D+01
      2   0.161992D+02  0.745152D+01 -0.168915D+01 -0.850812D+01 -0.151725D+01
      3   0.135373D+02  0.841662D+00 -0.180806D+01 -0.741599D+01 -0.181948D+01
      4  -0.287002D+01 -0.205447D+02  0.565180D+01  0.322545D+01  0.748031D+01
      5   0.458502D+01  0.675531D+01 -0.490298D+01  0.956963D+01 -0.340224D+01
      6   0.178648D+01  0.181396D+01  0.358394D+01 -0.951439D+00  0.256757D+01
                81            82            83            84            85 
      1   0.219731D+01 -0.701575D-01  0.299112D+00 -0.550925D+01  0.627936D+00
      2  -0.511594D+01 -0.292589D+01 -0.575849D-01  0.895322D+00 -0.322932D+00
      3   0.291863D+01  0.299605D+01 -0.241527D+00  0.461393D+01 -0.305004D+00
      4  -0.317338D+01 -0.188094D+00  0.143241D+00 -0.275648D+00  0.113687D+00
      5   0.298321D+01 -0.230627D+01 -0.310085D+00  0.294607D+01 -0.221331D+00
      6   0.519374D+00 -0.763978D+00  0.373982D+00 -0.561195D+00 -0.798601D-02
                86            87            88            89            90 
      1  -0.476393D+01  0.165827D+01 -0.716625D+01  0.143992D+01 -0.161223D+02
      2   0.854449D+00  0.673392D-01  0.334773D+01  0.563950D+00 -0.130499D+02
      3   0.390948D+01 -0.172561D+01  0.381852D+01 -0.200387D+01  0.291722D+02
      4   0.136976D+01 -0.225501D+01 -0.897072D+00 -0.385145D+01  0.153557D+01
      5  -0.247895D+01  0.216827D+01  0.389447D+01  0.198153D+01 -0.203554D+02
      6  -0.154050D+01  0.690668D+01 -0.162723D+00  0.406194D+01 -0.465085D+01
                91            92            93            94            95 
      1   0.148350D+01 -0.152056D+01  0.173173D+01 -0.123513D+01 -0.724736D+00
      2  -0.303090D+01  0.241814D+01 -0.140400D+01  0.191616D+01 -0.109460D+01
      3   0.154740D+01 -0.897584D+00 -0.327734D+00 -0.681027D+00  0.181934D+01
      4   0.783656D+00  0.270144D+01  0.148763D+01  0.307952D+01  0.672299D+00
      5   0.331314D+01 -0.219185D+00  0.545812D+01 -0.313056D-01  0.199375D+01
      6   0.223490D+01 -0.224149D-01  0.170836D+01  0.442838D+00  0.157229D+01
                96            97            98            99           100 
      1  -0.118111D+01  0.163231D+01 -0.290348D+01 -0.833232D+01  0.114269D+02
      2   0.207228D+01 -0.331218D+01  0.451519D+01 -0.118808D+02 -0.219868D+01
      3  -0.891172D+00  0.167987D+01 -0.161172D+01  0.202132D+02 -0.922822D+01
      4   0.234391D+01  0.265386D+01  0.310935D+01  0.108137D+01  0.186264D+02
      5   0.637559D-01  0.556536D+01 -0.149142D+00  0.126028D+02 -0.451763D+01
      6   0.404230D+01  0.229519D+01  0.310280D+01  0.141534D+02 -0.573079D+01
               101           102           103           104           105 
      1  -0.898485D+01 -0.718055D+00 -0.359672D+01  0.819074D+01  0.617771D+01
      2   0.202893D+02  0.241514D+01  0.116997D+02 -0.786004D+01 -0.837760D+01
      3  -0.113045D+02 -0.169708D+01 -0.810297D+01 -0.330709D+00  0.219989D+01
      4   0.213346D+02 -0.398310D+01  0.182828D+02  0.122505D+02 -0.411333D+01
      5  -0.120720D+01  0.828320D+01 -0.111877D+01 -0.684785D+01  0.133296D+01
      6  -0.310368D+01  0.598246D+01 -0.242384D+01 -0.106743D+02  0.687716D+01
               106           107           108           109           110 
      1  -0.187535D+01  0.106713D+02 -0.152366D+01  0.105373D+02 -0.136326D+02
      2   0.315824D+00 -0.171498D+02 -0.233817D+01 -0.740116D+01  0.101630D+02
      3   0.155952D+01  0.647849D+01  0.386182D+01 -0.313619D+01  0.346966D+01
      4  -0.775469D+01 -0.103462D+02  0.593637D+01 -0.118428D+02 -0.134401D+02
      5   0.815807D+01  0.322308D+01 -0.361873D+01  0.731379D+01  0.196603D+00
      6   0.736637D+01  0.905284D+01 -0.754221D+01 -0.152404D+01  0.522138D+01
               111           112           113           114           115 
      1   0.694074D+01 -0.142188D+02 -0.176222D+02  0.281648D+01  0.938372D+01
      2  -0.164615D+01  0.102651D+02  0.619427D+01 -0.553568D+01 -0.328418D+01
      3  -0.529459D+01  0.395364D+01  0.114279D+02  0.271920D+01 -0.609954D+01
      4  -0.166927D+01 -0.227437D+02  0.702193D+01  0.203810D+02 -0.247989D+01
      5  -0.855239D+01 -0.645628D+00  0.234520D+02  0.138023D+02 -0.257263D+02
      6   0.312842D+01  0.860791D+01 -0.828628D+01 -0.935034D+01  0.814652D+01
               116           117           118           119           120 
      1   0.271727D+01 -0.107677D+02  0.115596D+01 -0.185126D+00 -0.452755D+01
      2  -0.265422D+01  0.455831D+01 -0.431374D+01  0.167799D+00  0.115074D+01
      3  -0.630436D-01  0.620935D+01  0.315778D+01  0.173265D-01  0.337681D+01
      4   0.168659D+02  0.163868D+02 -0.214318D+00  0.128001D+01  0.102280D+01
      5   0.159666D+02 -0.477461D+01 -0.354145D+01  0.100520D+00  0.574817D+01
      6  -0.151455D+02 -0.342199D+01  0.493812D+00  0.630636D+00 -0.242232D+00
               121           122           123           124           125 
      1   0.168632D+00 -0.501547D+01  0.759539D+00 -0.411599D+01  0.978550D+00
      2  -0.472689D+00  0.772744D+00  0.177246D+01  0.475555D+01  0.775643D+00
      3   0.304058D+00  0.424272D+01 -0.253200D+01 -0.639562D+00 -0.175419D+01
      4   0.129146D+01  0.160204D+01 -0.192707D+01  0.106155D+01 -0.254240D+01
      5  -0.610711D+00 -0.250816D+01  0.206430D+01  0.698409D+01  0.108739D+01
      6   0.156824D+00 -0.376977D+00  0.698024D+01  0.570637D+00  0.510002D+01
               126           127           128           129           130 
      1  -0.207985D+02  0.105287D+02 -0.703202D+01 -0.288856D+01 -0.330548D+00
      2  -0.183146D+02  0.389276D+00  0.183616D+02  0.382822D+01  0.919036D+01
      3   0.391131D+02 -0.109179D+02 -0.113296D+02 -0.939663D+00 -0.885981D+01
      4   0.143926D+01  0.162079D+02  0.215899D+02 -0.316719D+01  0.189639D+02
      5  -0.200452D+02 -0.247358D+01  0.642181D+00  0.716810D+01 -0.179618D+00
      6   0.224340D+01 -0.375458D+01  0.159863D+01  0.569680D+01  0.370028D+00
               131           132           133           134           135 
      1   0.115176D+02  0.100055D+02 -0.437706D+01  0.162299D+02  0.957534D+00
      2  -0.103889D+02 -0.135131D+02  0.570686D+00 -0.282939D+02 -0.581709D+01
      3  -0.112869D+01  0.350765D+01  0.380637D+01  0.120640D+02  0.485955D+01
      4   0.113012D+02 -0.514102D+01 -0.892908D+01 -0.149540D+02  0.383419D+01
      5  -0.655556D+01  0.721908D+00  0.704896D+01  0.471023D+00 -0.451028D+01
      6  -0.183480D+02  0.408994D+01  0.580485D+01  0.327870D+01 -0.988335D+01
               136           137           138           139           140 
      1   0.174024D+01 -0.352907D+00  0.186726D+01 -0.104522D+01 -0.195817D+01
      2  -0.469409D+01  0.479271D+00 -0.261948D+01  0.191598D+01 -0.782098D+00
      3   0.295385D+01 -0.126364D+00  0.752223D+00 -0.870756D+00  0.274027D+01
      4   0.147069D+01  0.338492D+01  0.329109D+01  0.314023D+01  0.270100D+00
      5   0.548457D+01  0.974489D+00  0.929255D+01 -0.528781D+00  0.273620D+01
      6   0.344835D+01  0.992692D+00  0.250421D+01  0.875186D+00  0.213568D+01
               141           142           143           144           145 
      1  -0.101733D+01  0.712635D+00 -0.267235D+01 -0.139682D+02  0.233848D+02
      2   0.388000D+01 -0.402027D+01  0.362197D+01 -0.177814D+02 -0.476807D+01
      3  -0.286267D+01  0.330764D+01 -0.949617D+00  0.317496D+02 -0.186167D+02
      4   0.217866D+01  0.523836D+01  0.514488D+01  0.203772D+01 -0.357047D+02
      5  -0.222778D+01  0.939986D+01  0.163712D+01  0.207423D+02 -0.606768D+01
      6   0.455111D+01  0.387532D+01  0.571337D+01  0.194319D+02  0.191656D+01
               146           147           148           149           150 
      1  -0.273037D+01 -0.283448D+00 -0.136374D+01  0.147801D+01  0.275855D+00
      2  -0.726188D+01 -0.432627D-01 -0.357812D+01  0.390516D+01 -0.188744D+00
      3   0.999225D+01  0.326711D+00  0.494186D+01 -0.538317D+01 -0.871110D-01
      4   0.195079D+02  0.342127D+01  0.105635D+02 -0.701407D+01 -0.562609D+00
      5   0.285362D+01  0.444782D+01  0.107732D+01 -0.410258D+00 -0.152412D+01
      6  -0.281792D+01 -0.495565D+01 -0.116027D+01  0.371108D+00  0.162288D+01
               151           152           153           154           155 
      1   0.111722D+01  0.261538D+00  0.787594D+00  0.301965D+02  0.136079D+02
      2   0.501623D-01 -0.876485D+00 -0.942470D+00 -0.153656D+02 -0.667689D+01
      3  -0.116739D+01  0.614948D+00  0.154876D+00 -0.148309D+02 -0.693099D+01
      4  -0.908074D+00  0.645635D+00 -0.352462D+01  0.146175D+02  0.136498D+02
      5   0.465269D+01 -0.203986D+01 -0.114117D+01 -0.553468D+01 -0.328586D+01
      6  -0.333308D+01  0.305861D+01  0.177188D+01 -0.111116D+01 -0.742850D+00
               156           157           158           159           160 
      1  -0.462618D+01  0.252652D+02  0.133565D+02 -0.388626D+01 -0.844526D+01
      2   0.218357D+01 -0.127063D+02 -0.471837D+01  0.198306D+01  0.505022D+01
      3   0.244260D+01 -0.125588D+02 -0.863817D+01  0.190320D+01  0.339505D+01
      4  -0.280728D+01  0.182548D+02  0.194194D+02 -0.478458D+01 -0.478369D+01
      5   0.649542D+01 -0.530551D+01 -0.529632D+01  0.564876D+01  0.857503D+01
      6   0.840108D+00 -0.176586D+01 -0.147586D+01  0.136188D+01  0.172835D+01
               161           162           163           164           165 
      1  -0.429898D+01  0.498028D+01 -0.227174D+01  0.803677D+01  0.477133D+00
      2   0.248679D+01 -0.386064D+01  0.388579D+01 -0.117955D+02 -0.159014D+01
      3   0.181219D+01 -0.111964D+01 -0.161405D+01  0.375874D+01  0.111301D+01
      4  -0.583174D+01  0.388790D+01 -0.149662D+01  0.914238D+00  0.111563D+01
      5   0.444027D+01 -0.341053D+01  0.628957D+00 -0.104240D+01 -0.870487D+00
      6   0.240381D+01 -0.133932D+01  0.140042D+01  0.767983D-01 -0.129397D+01
               166           167           168           169           170 
      1   0.372868D+01 -0.262520D+02 -0.227130D+01  0.101805D+01 -0.653533D+01
      2  -0.296562D+01  0.458897D+02  0.560262D+01 -0.858182D+00  0.112301D+02
      3  -0.763052D+00 -0.196377D+02 -0.333132D+01 -0.159870D+00 -0.469474D+01
      4   0.573193D+01  0.122496D+02  0.972573D+00  0.198117D+01  0.374004D+01
      5  -0.115548D+01  0.313651D+01  0.270205D+01  0.668648D+00  0.235693D+01
      6  -0.682365D+00  0.119995D+01  0.613795D+01 -0.612564D+00  0.668009D+01
               171           172           173           174           175 
      1  -0.456276D+01  0.293817D+02  0.862692D+01  0.338617D+01  0.114573D+02
      2   0.496026D+01 -0.177673D+02 -0.725194D+01 -0.530467D+01 -0.917145D+01
      3  -0.397496D+00 -0.116143D+02 -0.137498D+01  0.191849D+01 -0.228586D+01
      4   0.116355D+01 -0.379292D+01  0.136756D+02 -0.646079D+01  0.125983D+02
      5   0.642799D+00  0.154191D+02 -0.402776D+01  0.187899D+02 -0.184955D+01
      6   0.172445D+01 -0.416086D+00  0.769470D+01 -0.673281D+01  0.561406D+01
               176           177           178           179           180 
      1   0.131026D+02 -0.470252D+01  0.665216D+01 -0.683956D+01  0.757374D+01
      2  -0.569261D+01  0.191800D+01 -0.699964D+01  0.225469D+01 -0.174736D+02
      3  -0.741001D+01  0.278451D+01  0.347475D+00  0.458487D+01  0.989986D+01
      4   0.226694D+01  0.295337D+01 -0.697935D+01  0.171031D+01 -0.836473D+01
      5   0.418433D+01  0.342426D+01  0.279455D+02 -0.759923D+01  0.279903D+02
      6   0.347788D+01  0.137196D+01 -0.850232D+01  0.926241D+01 -0.366537D+01
               181           182           183           184           185 
      1   0.309216D+02  0.155318D+02 -0.667935D+01  0.253878D+02  0.128061D+02
      2  -0.165748D+02 -0.839043D+01  0.397808D+01 -0.143057D+02 -0.472097D+01
      3  -0.143467D+02 -0.714141D+01  0.270127D+01 -0.110821D+02 -0.808511D+01
      4   0.142684D+02  0.128907D+02 -0.255794D+01  0.156224D+02  0.202984D+02
      5  -0.102796D+02 -0.445479D+01  0.923625D+01 -0.731033D+01 -0.968620D+01
      6  -0.131397D+01 -0.244656D+01  0.230398D+00 -0.290670D+01 -0.251894D+01
               186           187           188           189           190 
      1  -0.416857D+01 -0.772585D+01 -0.201829D+01  0.614195D+01  0.122392D+02
      2   0.353389D+01  0.543702D+01  0.231102D+01 -0.535063D+01 -0.433475D+01
      3   0.634685D+00  0.228884D+01 -0.292731D+00 -0.791321D+00 -0.790440D+01
      4  -0.789705D+01 -0.228503D+01 -0.622409D+01  0.454211D+01 -0.124964D+02
      5   0.845907D+01  0.118713D+02  0.599626D+01 -0.628672D+01 -0.118574D+02
      6   0.249345D+01  0.809344D+00  0.363474D+01 -0.182396D+01  0.537574D+01
               191           192           193           194           195 
      1  -0.720650D+01 -0.771103D+01 -0.113861D+02  0.367808D+01  0.733867D-01
      2   0.161711D+01  0.386805D+01  0.193720D+01  0.833448D+01  0.263551D+01
      3   0.558939D+01  0.384298D+01  0.944888D+01 -0.120126D+02 -0.270890D+01
      4   0.132986D+02  0.665970D+01  0.229116D+02 -0.311403D+02 -0.168262D+02
      5   0.627239D+01  0.978240D+01  0.115612D+02 -0.179300D+02 -0.196367D+02
      6  -0.396186D+01 -0.382085D+01 -0.769559D+01  0.148481D+02  0.136266D+02
               196           197           198           199           200 
      1  -0.909117D+01  0.509930D-01  0.155701D+01 -0.139500D+01  0.944705D+01
      2   0.522391D+01  0.141081D+01 -0.273321D+01  0.348316D+01 -0.128855D+02
      3   0.386726D+01 -0.146180D+01  0.117620D+01 -0.208816D+01  0.343843D+01
      4   0.102211D+02 -0.146718D+02 -0.152021D+02  0.125979D+01  0.321035D+01
      5   0.156613D+02 -0.159159D+02 -0.217781D+02  0.825160D+00 -0.254343D+00
      6  -0.680338D+01  0.121789D+02  0.131385D+02  0.203607D+01 -0.350867D+01
               201           202           203           204           205 
      1   0.241581D+01  0.324887D+01 -0.312232D+02 -0.715871D+01  0.174062D+01
      2  -0.309272D+01 -0.127688D+01  0.544357D+02  0.116216D+02 -0.965581D+00
      3   0.676908D+00 -0.197199D+01 -0.232124D+02 -0.446289D+01 -0.775040D+00
      4   0.126377D+01  0.652588D+01  0.187997D+02  0.325162D+01  0.300953D+01
      5   0.193374D+00  0.576575D-02  0.587062D+01  0.408631D+01  0.114382D+01
      6  -0.223922D+01 -0.380069D+00  0.146682D+02  0.970419D+01 -0.186741D+00
               206           207           208           209           210 
      1  -0.140444D+02 -0.787974D+01 -0.116432D+02 -0.100634D+02  0.729291D+01
      2   0.217807D+02  0.980474D+01  0.743463D+01  0.662368D+01 -0.228743D+01
      3  -0.773631D+01 -0.192499D+01  0.420853D+01  0.343975D+01 -0.500548D+01
      4   0.801335D+01  0.334875D+01 -0.343236D+00 -0.509981D+01  0.273002D+01
      5   0.535972D+01  0.258915D+01 -0.112216D+01  0.149391D+01 -0.590946D+01
      6   0.142229D+02  0.734024D+01 -0.299888D+01 -0.600152D+01  0.596097D+01
               211           212           213           214           215 
      1  -0.130334D+02 -0.141805D+02  0.748150D+01  0.642820D+01  0.627641D+01
      2   0.798777D+01  0.127209D+02 -0.509121D+01 -0.298366D+01 -0.346655D+01
      3   0.504563D+01  0.145956D+01 -0.239030D+01 -0.344454D+01 -0.280987D+01
      4   0.655902D+00 -0.111049D+02  0.626252D+01  0.355129D+00  0.481715D+01
      5  -0.151570D+01  0.494556D+01 -0.760530D+01  0.142444D+01 -0.295132D+01
      6  -0.308356D+01 -0.101869D+02  0.830069D+01  0.234420D+01  0.650905D+01
               216 
      1  -0.746648D+01
      2   0.155572D+01
      3   0.591076D+01
      4  -0.267622D+01
      5   0.665461D+01
      6  -0.619625D+01
 Leave Link  716 at Mon Sep 27 12:03:43 2021, MaxMem=  6442450944 cpu:               0.6 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.107850D+03  0.113910D+01 -0.175817D+01
      2   0.113910D+01  0.101301D+03  0.776106D-01
      3  -0.175817D+01  0.776106D-01  0.851724D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1   0.187500D+01 -0.865664D+01 -0.119752D+01
      2   0.114046D+02 -0.352110D+01  0.138749D+02
      3   0.258115D+01 -0.754200D+01  0.179732D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.186581D+02 -0.129537D+02  0.113738D+02
      2  -0.214115D+02  0.113539D+02  0.867230D+01
      3   0.275337D+01  0.159972D+01 -0.200461D+02
      4  -0.132093D+02 -0.887846D+01 -0.107675D+02
      5  -0.857874D+01 -0.988872D+01  0.278483D+02
      6  -0.764828D+01 -0.999778D+01 -0.464148D+01
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    72 ND12= 1 LenFil=    2595:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.356432D+01  0.532888D+00  0.849647D-01 -0.339880D+00  0.259477D+01
      2   0.532888D+00  0.318725D+01  0.173975D+00  0.259477D+01 -0.148282D+01
      3   0.849647D-01  0.173975D+00  0.108856D+01  0.498234D+00 -0.145875D+01
                 6             7             8             9            10 
      1   0.498234D+00 -0.365951D+00  0.482982D+00  0.129782D+01  0.458823D+01
      2  -0.145875D+01  0.482982D+00 -0.261218D+01 -0.127715D+01 -0.698675D+00
      3  -0.535093D+00  0.129782D+01 -0.127715D+01  0.734140D+01  0.161301D+00
                11            12            13            14            15 
      1  -0.698675D+00  0.161301D+00 -0.949127D+00 -0.267607D+01 -0.244858D+00
      2  -0.229118D+01 -0.780948D-01 -0.267607D+01 -0.415798D+00  0.914751D+00
      3  -0.780948D-01 -0.225713D+01 -0.244858D+00  0.914751D+00  0.156388D+01
                16            17            18            19            20 
      1   0.109259D+01 -0.353305D+00 -0.152844D+01  0.289480D+01 -0.494947D+00
      2  -0.353305D+00  0.155457D+01  0.973360D+00 -0.494947D+00 -0.291706D+01
      3  -0.152844D+01  0.973360D+00 -0.695429D+01  0.103021D+00  0.428862D+00
                21            22            23            24            25 
      1   0.103021D+00 -0.882379D+00 -0.341318D+01  0.170954D+00  0.703268D+00
      2   0.428862D+00 -0.341318D+01  0.795204D+00  0.153539D+01  0.586256D+00
      3  -0.101292D+01  0.170954D+00  0.153539D+01  0.129515D+01 -0.143417D+01
                26            27            28            29            30 
      1   0.586256D+00 -0.143417D+01 -0.166281D+01  0.204509D+01 -0.718798D+00
      2   0.224363D+01  0.100109D+01  0.204509D+01  0.257902D+01 -0.893965D-01
      3   0.100109D+01 -0.678029D+01 -0.718798D+00 -0.893965D-01  0.413280D+00
                31            32            33            34            35 
      1   0.248492D+01  0.353851D+01  0.735688D+00 -0.203554D+01  0.401296D+00
      2   0.353851D+01 -0.105950D+01 -0.168979D+01  0.401296D+00 -0.214499D+01
      3   0.735688D+00 -0.168979D+01 -0.168695D+01  0.342539D+00 -0.661218D+00
                36            37            38            39            40 
      1   0.342539D+00  0.507982D+01 -0.157669D+01 -0.129008D+00 -0.332536D+01
      2  -0.661218D+00 -0.157669D+01 -0.993166D-02 -0.309649D+00 -0.100069D+01
      3   0.677956D+01 -0.129008D+00 -0.309649D+00 -0.396186D+00 -0.246814D+00
                41            42            43            44            45 
      1  -0.100069D+01 -0.246814D+00  0.226118D+01  0.498613D+00  0.202450D+00
      2  -0.369783D+01  0.723755D+00  0.498613D+00  0.143224D+01 -0.442850D+00
      3   0.723755D+00  0.700114D+00  0.202450D+00 -0.442850D+00 -0.721228D+00
                46            47            48            49            50 
      1  -0.466554D+01 -0.712302D+00  0.126382D+00  0.124929D+01  0.250395D+01
      2  -0.712302D+00  0.984535D+00  0.494230D+00  0.250395D+01 -0.940824D+00
      3   0.126382D+00  0.494230D+00  0.148269D+01 -0.122443D+00 -0.107664D+01
                51            52            53            54            55 
      1  -0.122443D+00 -0.948311D+00 -0.101764D+00  0.158963D+01  0.507859D+01
      2  -0.107664D+01 -0.101764D+00 -0.183582D+01 -0.882941D+00 -0.137222D+00
      3  -0.198855D+01  0.158963D+01 -0.882941D+00  0.687588D+01  0.427694D+00
                56            57            58            59            60 
      1  -0.137222D+00  0.427694D+00  0.874652D+00 -0.139406D+01 -0.362980D+00
      2   0.591562D+00  0.269826D+00 -0.139406D+01  0.674001D+01  0.179666D+01
      3   0.269826D+00  0.502974D+00 -0.362980D+00  0.179666D+01  0.307850D+00
                61            62            63            64            65 
      1   0.135168D+01 -0.846691D+00 -0.641137D+00 -0.164101D+00  0.605147D-01
      2  -0.846691D+00  0.295691D+01  0.186326D+01  0.605147D-01 -0.861986D+00
      3  -0.641137D+00  0.186326D+01  0.761976D+00 -0.113091D+01  0.136323D+00
                66            67            68            69            70 
      1  -0.113091D+01  0.237948D+00 -0.710580D+00  0.105107D+00 -0.196797D+01
      2   0.136323D+00 -0.710580D+00  0.782040D+00 -0.103161D+01  0.315775D+00
      3  -0.819966D+00  0.105107D+00 -0.103161D+01  0.648071D+00 -0.964692D+00
                71            72            73            74            75 
      1   0.315775D+00 -0.964692D+00 -0.670195D+01  0.224532D+01 -0.259377D+00
      2  -0.181127D+01  0.990453D+00  0.224532D+01  0.857059D+00 -0.498934D+00
      3   0.990453D+00 -0.697044D+01 -0.259377D+00 -0.498934D+00  0.631731D+00
                76            77            78            79            80 
      1   0.505676D+01  0.563100D+00 -0.621479D+00 -0.254347D+01 -0.613605D+00
      2   0.563100D+00  0.358041D+01 -0.922692D+00 -0.613605D+00 -0.136270D+01
      3  -0.621479D+00 -0.922692D+00  0.633846D+00 -0.779937D+00  0.413644D+00
                81            82            83            84            85 
      1  -0.779937D+00 -0.116684D-01  0.158041D-01  0.112177D+01 -0.145032D+00
      2   0.413644D+00  0.158041D-01  0.576865D+00 -0.212546D-01  0.565131D+00
      3  -0.625166D-01  0.112177D+01 -0.212546D-01  0.785607D+00 -0.189871D-01
                86            87            88            89            90 
      1   0.565131D+00 -0.189871D-01  0.194144D+01  0.111827D+00  0.641599D-01
      2  -0.485277D+00  0.874390D+00  0.111827D+00  0.151704D+01 -0.628758D+00
      3   0.874390D+00 -0.871010D+00  0.641599D-01 -0.628758D+00  0.737197D+01
                91            92            93            94            95 
      1   0.365388D+00 -0.954809D-01  0.110945D+01  0.484315D-01  0.856656D+00
      2  -0.954809D-01  0.906424D+00  0.494791D-01  0.856656D+00 -0.289993D+00
      3   0.110945D+01  0.494791D-01  0.705648D+00  0.529435D-01  0.836484D+00
                96            97            98            99           100 
      1   0.529435D-01  0.209363D+01 -0.151348D+00  0.112027D+01  0.390696D+01
      2   0.836484D+00 -0.151348D+00  0.167940D+01  0.359923D-03  0.190787D+01
      3  -0.145308D+00  0.112027D+01  0.359923D-03  0.656334D+01 -0.116104D+01
               101           102           103           104           105 
      1   0.190787D+01 -0.116104D+01  0.874058D+00  0.341112D+01 -0.600958D-01
      2   0.430445D+01 -0.854450D-01  0.341112D+01 -0.670123D+00 -0.175898D+01
      3  -0.854450D-01  0.674587D+00 -0.600958D-01 -0.175898D+01 -0.742352D+00
               106           107           108           109           110 
      1  -0.168569D+01 -0.681091D+00  0.139954D+01  0.253042D+01 -0.208530D+01
      2  -0.681091D+00 -0.362785D+01  0.707301D+00 -0.208530D+01 -0.235681D+01
      3   0.139954D+01  0.707301D+00 -0.660358D+00  0.149085D+01 -0.194940D+00
               111           112           113           114           115 
      1   0.149085D+01 -0.173921D+01 -0.389339D+01 -0.550374D+00  0.267517D+01
      2  -0.194940D+00 -0.389339D+01  0.880673D+00  0.348806D+01 -0.756810D+00
      3  -0.872905D+00 -0.550374D+00  0.348806D+01  0.195651D+01 -0.299011D+01
               116           117           118           119           120 
      1  -0.756810D+00 -0.299011D+01  0.370785D+00 -0.146622D+00 -0.133968D+01
      2   0.351293D+01  0.247107D+01 -0.146622D+00 -0.430083D+00  0.579126D-01
      3   0.247107D+01 -0.929421D+00 -0.133968D+01  0.579126D-01 -0.286214D+00
               121           122           123           124           125 
      1  -0.905883D-01 -0.383406D+00 -0.210419D+00 -0.197015D+01 -0.247198D+00
      2  -0.383406D+00  0.624443D+00 -0.102548D+01 -0.247198D+00 -0.139078D+01
      3  -0.210419D+00 -0.102548D+01  0.596431D+00  0.499429D+00  0.339960D+00
               126           127           128           129           130 
      1   0.499429D+00 -0.257481D+01 -0.183391D+01  0.893446D+00 -0.148734D+01
      2   0.339960D+00 -0.183391D+01 -0.338313D+01 -0.228556D+00 -0.239471D+01
      3  -0.818993D+01  0.893446D+00 -0.228556D+00 -0.422228D+00 -0.908989D-01
               131           132           133           134           135 
      1  -0.239471D+01 -0.908989D-01  0.191833D+01  0.616093D+00 -0.110972D+01
      2   0.180676D+01  0.237330D+01  0.616093D+00  0.512597D+01 -0.773198D-01
      3   0.237330D+01  0.995971D+00 -0.110972D+01 -0.773198D-01  0.116848D+01
               136           137           138           139           140 
      1  -0.529617D+00 -0.615149D-01 -0.134621D+01  0.159360D-01 -0.595521D+00
      2  -0.615149D-01 -0.382768D+00 -0.293362D+00 -0.595521D+00  0.160028D+00
      3  -0.134621D+01 -0.293362D+00 -0.914859D+00  0.685401D-01 -0.907784D+00
               141           142           143           144           145 
      1   0.685401D-01 -0.235956D+01 -0.512741D+00 -0.139398D+01 -0.727974D+01
      2  -0.907784D+00 -0.512741D+00 -0.154813D+01 -0.419914D+00  0.260976D+01
      3   0.491116D+00 -0.139398D+01 -0.419914D+00 -0.747447D+01  0.606479D+00
               146           147           148           149           150 
      1   0.260976D+01  0.606479D+00  0.130719D+01 -0.126418D+01 -0.128807D+00
      2  -0.297599D+01 -0.556614D+00 -0.126418D+01  0.115553D+01 -0.112987D-01
      3  -0.556614D+00 -0.115353D+01 -0.128807D+00 -0.112987D-01  0.438645D+00
               151           152           153           154           155 
      1  -0.168837D+00  0.952922D-02 -0.684765D+00 -0.475755D+01 -0.214493D+01
      2   0.952922D-02 -0.194405D+00  0.485492D+00 -0.214493D+01 -0.207664D+01
      3  -0.684765D+00  0.485492D+00  0.440989D+00  0.669497D+00  0.428867D+00
               156           157           158           159           160 
      1   0.669497D+00 -0.422757D+01 -0.248069D+01  0.627012D+00  0.152783D+01
      2   0.428867D+00 -0.248069D+01 -0.315499D+01  0.669275D+00  0.794113D+00
      3  -0.102927D+01  0.627012D+00  0.669275D+00 -0.834582D+00 -0.112994D+01
               161           162           163           164           165 
      1   0.794113D+00 -0.112994D+01 -0.649322D+00  0.711074D+00  0.338166D+00
      2   0.100382D+01 -0.586074D+00  0.711074D+00 -0.182103D+01 -0.111060D+00
      3  -0.586074D+00  0.519069D+00  0.338166D+00 -0.111060D+00 -0.245394D+00
               166           167           168           169           170 
      1   0.147765D+01 -0.652419D-01 -0.197276D+00  0.606071D+00 -0.241021D-01
      2  -0.652419D-01  0.766034D+01  0.717300D+00 -0.241021D-01  0.194331D+01
      3  -0.197276D+00  0.717300D+00  0.129354D+01 -0.705957D-01  0.105676D+01
               171           172           173           174           175 
      1  -0.705957D-01  0.356694D+01  0.719209D+00  0.158706D+01  0.159860D+01
      2   0.105676D+01  0.719209D+00  0.198217D+01 -0.110648D+01  0.188832D+01
      3   0.238717D+00  0.158706D+01 -0.110648D+01  0.228723D+01 -0.539606D+00
               176           177           178           179           180 
      1   0.188832D+01 -0.539606D+00  0.141852D+01 -0.733581D+00  0.331364D+01
      2   0.156857D+01  0.956575D-01 -0.733581D+00 -0.378018D+00 -0.825368D+00
      3   0.956575D-01  0.119795D+01  0.331364D+01 -0.825368D+00  0.389839D+01
               181           182           183           184           185 
      1   0.411428D+01  0.225426D+01 -0.107992D+01  0.389447D+01  0.224517D+01
      2   0.225426D+01  0.181828D+01 -0.360556D+00  0.224517D+01  0.343639D+01
      3  -0.107992D+01 -0.360556D+00  0.108397D+01 -0.590192D+00 -0.127729D+01
               186           187           188           189           190 
      1  -0.590192D+00 -0.145770D+01 -0.343135D+00  0.136626D+01  0.202399D+01
      2  -0.127729D+01 -0.343135D+00 -0.105838D+01  0.750175D+00 -0.142048D+01
      3   0.113246D+01  0.136626D+01  0.750175D+00 -0.806908D+00 -0.149532D+01
               191           192           193           194           195 
      1  -0.142048D+01 -0.149532D+01 -0.280137D+01  0.299892D+01  0.131651D+01
      2   0.143801D+01  0.636773D+00  0.299892D+01 -0.499497D+01 -0.266752D+01
      3   0.636773D+00  0.100963D+01  0.131651D+01 -0.266752D+01 -0.297003D+01
               196           197           198           199           200 
      1  -0.223245D+01  0.128310D+01  0.184525D+01 -0.148393D+00 -0.769580D+00
      2   0.128310D+01 -0.242987D+01 -0.241899D+01 -0.769580D+00  0.178350D+01
      3   0.184525D+01 -0.241899D+01 -0.337229D+01 -0.318697D+00  0.378966D+00
               201           202           203           204           205 
      1  -0.318697D+00 -0.115951D+01 -0.162076D+00  0.136402D+00 -0.660300D+00
      2   0.378966D+00 -0.162076D+00 -0.898772D+01 -0.173323D+01 -0.824772D-01
      3   0.238675D+00  0.136402D+00 -0.173323D+01 -0.156503D+01  0.143770D-01
               206           207           208           209           210 
      1  -0.824772D-01  0.143770D-01 -0.181037D+01 -0.924134D+00  0.258896D+00
      2  -0.394021D+01 -0.185743D+01 -0.924134D+00 -0.150250D+01  0.879131D+00
      3  -0.185743D+01 -0.102483D+01  0.258896D+00  0.879131D+00 -0.149397D+01
               211           212           213           214           215 
      1  -0.197253D+01 -0.731846D+00  0.273840D+00  0.806224D+00  0.348262D+00
      2  -0.731846D+00 -0.301056D+01  0.153605D+01  0.348262D+00  0.136477D+01
      3   0.273840D+00  0.153605D+01 -0.191263D+01 -0.327887D+00 -0.974901D+00
               216 
      1  -0.327887D+00
      2  -0.974901D+00
      3   0.198721D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.389992D-02  0.102051D+00 -0.223413D+01 -0.680762D+00  0.812586D+00
      2  -0.257884D+00 -0.119585D+00 -0.115427D+00  0.391798D+00  0.169761D+01
      3  -0.219868D+01 -0.474598D+00 -0.133311D+00  0.453427D+01  0.135422D+01
                 6             7             8             9            10 
      1   0.115385D+01 -0.123469D+01  0.440553D+01 -0.643825D+01 -0.430224D+00
      2   0.133089D+01 -0.374880D+01  0.532179D+00 -0.470794D+01 -0.191949D+01
      3  -0.549670D+00  0.117082D+00 -0.165011D+01  0.227674D+00 -0.194619D+01
                11            12            13            14            15 
      1  -0.109577D+01 -0.564475D+00  0.262615D+00  0.927172D-01 -0.191528D+01
      2  -0.661544D+00  0.231393D+01 -0.182870D-01 -0.156272D+01 -0.265404D+01
      3  -0.520466D+01 -0.103929D+00  0.241191D+00  0.377306D+00  0.168084D+01
                16            17            18            19            20 
      1  -0.920362D+00  0.372722D+01 -0.119979D+01 -0.975170D-01 -0.289339D+00
      2  -0.140979D+01 -0.149602D+01  0.952636D+01 -0.264136D+00  0.831879D+00
      3  -0.439751D+00  0.223811D+01  0.195176D+01  0.289345D+01 -0.117224D+01
                21            22            23            24            25 
      1   0.264716D+01 -0.741469D-01 -0.190620D+01 -0.182203D+01  0.228450D+01
      2   0.100905D+01 -0.795616D+00  0.716266D+00 -0.484816D+00 -0.457077D+01
      3  -0.238326D+00  0.435294D+01 -0.448763D+01 -0.213557D+01  0.106405D+00
                26            27            28            29            30 
      1   0.202843D+01  0.546246D+01 -0.196302D+01 -0.838829D+00  0.104194D+01
      2   0.446850D+00 -0.293936D+01 -0.630453D+01  0.334622D+01 -0.463385D+00
      3  -0.110572D+01 -0.242918D+01 -0.630256D+01 -0.838072D+01 -0.626201D+00
                31            32            33            34            35 
      1  -0.901758D+00  0.391699D+00  0.175306D+01  0.104675D+00  0.404753D+01
      2   0.233814D+01 -0.112962D+01 -0.354234D+01 -0.496986D+01  0.198111D+00
      3  -0.488445D+01  0.107809D+01  0.332248D+01  0.208732D+00  0.295168D+01
                36            37            38            39            40 
      1  -0.533822D+00  0.137680D+01  0.126674D+00 -0.160009D+01  0.137386D+01
      2   0.105391D+02  0.330855D+01 -0.719863D+00  0.874901D+01 -0.200167D+01
      3   0.176301D+01 -0.751981D+01 -0.411920D+01  0.133663D+00  0.143729D+02
                41            42            43            44            45 
      1   0.237754D+01 -0.561346D+01  0.184719D+01  0.201724D+01  0.958581D+00
      2  -0.120087D+01  0.163923D+01 -0.461323D+01 -0.119303D+01  0.222701D+00
      3   0.518515D+01 -0.364505D+00 -0.264262D+01 -0.132326D+01 -0.352015D+00
                46            47            48            49            50 
      1   0.588342D+00 -0.930862D+00  0.217510D+01 -0.898098D+00 -0.250905D+01
      2  -0.257283D+01 -0.116695D+01 -0.533993D+01 -0.632226D-01  0.263831D+01
      3   0.556976D+01  0.371885D+01 -0.135076D+00  0.239691D+01 -0.173027D+01
                51            52            53            54            55 
      1  -0.490541D+00  0.435746D+00  0.153687D+01  0.728410D+01 -0.874868D+00
      2   0.139152D+01 -0.607519D+01 -0.516664D+00 -0.838748D+01 -0.543045D+01
      3  -0.195866D+01  0.926699D+00 -0.138187D+01 -0.316985D+01  0.164492D+02
                56            57            58            59            60 
      1   0.286052D+00 -0.381463D+00  0.176149D+01 -0.204598D+01 -0.618597D+01
      2   0.210449D+01  0.183302D+01  0.353859D+00 -0.252531D+01 -0.169059D+01
      3  -0.284053D+01 -0.625282D-01  0.557430D+01  0.666494D+01  0.902295D+00
                61            62            63            64            65 
      1   0.471084D+00  0.690697D+00 -0.303856D+01  0.120991D+01  0.326435D+00
      2  -0.351329D+01 -0.148867D+01 -0.152320D+01  0.911351D+00 -0.385387D+00
      3   0.303403D+01  0.270684D+01  0.112932D+01 -0.143574D+00 -0.163814D+01
                66            67            68            69            70 
      1   0.702166D+00  0.148271D-01  0.127964D+01 -0.108930D+01  0.788385D+00
      2   0.166514D+01  0.355786D-01  0.523409D+00 -0.224578D+00 -0.301315D+01
      3  -0.105682D+01  0.760528D+00 -0.178096D+00 -0.794121D+00 -0.254474D+01
                71            72            73            74            75 
      1   0.312126D+01  0.856116D+01  0.575205D+00 -0.618960D-01  0.561648D+00
      2  -0.437598D+00  0.609766D+01  0.427002D+01  0.203163D+01  0.471810D+01
      3  -0.170775D+01 -0.919466D-01  0.936859D+01 -0.228212D+01 -0.216358D+01
                76            77            78            79            80 
      1  -0.107103D+01  0.104198D+01 -0.183733D+01  0.840866D+00  0.267837D+01
      2   0.183603D+01  0.269143D+01 -0.313673D+01 -0.190812D+01 -0.175216D+01
      3   0.755883D+01  0.158291D+02 -0.276711D+01 -0.215922D+01 -0.520459D+01
                81            82            83            84            85 
      1  -0.303326D-01  0.212122D+00  0.805617D+00  0.203538D+00  0.511549D+00
      2   0.225260D+01 -0.298061D+01  0.110220D+00 -0.113251D+01  0.519062D+00
      3   0.139258D+01 -0.151812D-01 -0.436294D-01 -0.228566D+00  0.171348D+01
                86            87            88            89            90 
      1  -0.322054D+00 -0.121375D+01  0.160861D+00  0.348455D+01  0.930118D+00
      2  -0.154404D+01  0.126794D+01 -0.435221D+01  0.759348D+00 -0.108980D+02
      3  -0.664268D+00  0.128780D+01 -0.431594D+00  0.214428D+01 -0.516823D+00
                91            92            93            94            95 
      1  -0.157951D+01  0.611475D+00 -0.907732D+00  0.249808D+00 -0.132872D+01
      2   0.344781D+00  0.444095D+00  0.550213D+00  0.730535D+00  0.230825D+00
      3   0.896940D+00 -0.171776D+01  0.117616D+01  0.358065D+00  0.799812D+00
                96            97            98            99           100 
      1  -0.127942D+00 -0.170498D+01  0.364049D+01 -0.706982D+01  0.211887D+01
      2   0.397072D-01 -0.336350D+01  0.320130D+00  0.384820D+01 -0.138236D+00
      3  -0.564275D+00  0.240315D+01 -0.172035D+01  0.114817D+01  0.806056D+01
               101           102           103           104           105 
      1  -0.191782D+01 -0.351092D+01 -0.718420D+00  0.685674D+01 -0.166858D+01
      2  -0.330182D+00  0.426845D+01  0.927480D+00 -0.123989D+01  0.112117D+01
      3  -0.946447D+01 -0.229411D+01  0.316527D-02  0.952801D+01  0.288138D+01
               106           107           108           109           110 
      1  -0.247336D+01  0.471879D+01  0.342362D+01  0.289860D+01  0.118540D+01
      2  -0.124218D+01  0.682428D+00 -0.140215D+01  0.882545D+01 -0.322583D+01
      3  -0.456370D+01  0.486487D+01  0.195335D+01  0.646051D+01  0.715091D+01
               111           112           113           114           115 
      1  -0.101615D+01  0.137362D+01  0.157585D+01 -0.350038D+01 -0.129346D+01
      2   0.736214D+00 -0.367909D+01  0.788464D+01  0.591159D+01 -0.789827D+01
      3  -0.206098D+00  0.166264D+02 -0.380770D+00 -0.908670D+01  0.533791D+00
               116           117           118           119           120 
      1  -0.206115D+01 -0.235419D+01 -0.393637D-01  0.958726D+00  0.332274D+00
      2   0.650303D+01 -0.493136D+01 -0.240820D+01 -0.222622D+00 -0.325099D+00
      3  -0.902277D+01 -0.540178D+01  0.270944D+00  0.900551D-01  0.246275D+00
               121           122           123           124           125 
      1   0.245861D+00 -0.147105D+01 -0.294518D-01  0.253334D+00  0.441795D+01
      2  -0.471644D-01 -0.199414D+01  0.809735D+00 -0.520787D+01  0.355275D+00
      3   0.214880D+01 -0.160769D+01  0.156016D+01  0.585411D+00  0.224915D+01
               126           127           128           129           130 
      1  -0.979074D+00  0.169609D+01 -0.384468D+00 -0.310020D+01  0.845584D+00
      2  -0.116185D+02 -0.227487D+01 -0.139465D+00  0.431540D+01  0.414520D+00
      3  -0.152264D+01  0.537579D+01 -0.700152D+01 -0.254915D+01  0.392331D+01
               131           132           133           134           135 
      1   0.104655D+02 -0.226651D+01 -0.176224D+01  0.535874D+01  0.551801D+01
      2  -0.424372D+01  0.546433D+00 -0.442418D+00  0.179504D+00 -0.260565D+01
      3   0.871382D+01  0.432779D+01 -0.526885D+01  0.804299D+01  0.293006D+01
               136           137           138           139           140 
      1  -0.185271D+01  0.120327D+00 -0.915072D+00  0.504280D+00 -0.180350D+01
      2   0.103588D+01  0.588535D+00  0.141650D+01  0.703359D+00  0.731097D+00
      3   0.107173D+01 -0.171196D+01  0.163986D+01 -0.790565D-02  0.160638D+01
               141           142           143           144           145 
      1   0.544246D+00 -0.807422D+00  0.470717D+01 -0.834377D+01 -0.236224D+00
      2  -0.104700D+01 -0.330129D+01 -0.147315D+00  0.888337D+01  0.453989D+01
      3  -0.100870D+01  0.311417D+01 -0.169858D+01  0.228947D+01 -0.182163D+02
               146           147           148           149           150 
      1  -0.252712D+00  0.281275D+01 -0.168472D+00  0.158866D+00 -0.824964D+00
      2  -0.933644D+00  0.257274D+01 -0.642834D+00  0.774624D+00 -0.709612D+00
      3  -0.191493D+00  0.681462D+00  0.131074D+01 -0.264624D+01 -0.622132D+00
               151           152           153           154           155 
      1   0.143097D+01 -0.221251D+00 -0.752722D+00 -0.444516D-01  0.446124D-01
      2   0.525949D+00 -0.735976D+00 -0.292346D+00 -0.210621D+01 -0.153107D+01
      3  -0.881032D+00 -0.543212D+00 -0.769355D+00 -0.723306D+01 -0.787370D+01
               156           157           158           159           160 
      1  -0.658288D+00  0.348439D+00 -0.818868D+00 -0.855484D+00 -0.288263D+00
      2   0.355340D+01 -0.218757D+01 -0.240111D+01  0.345701D+01  0.233907D+01
      3   0.169457D+01 -0.734559D+01 -0.133278D+02  0.239407D+01  0.292171D+01
               161           162           163           164           165 
      1   0.748915D+00  0.348206D+00 -0.161771D+01  0.185351D+01  0.143046D+01
      2   0.185669D+01 -0.144760D+01  0.214191D+00  0.175082D-01 -0.484523D+00
      3   0.388839D+01 -0.167227D+01 -0.488463D+01  0.494205D+01  0.173559D+01
               166           167           168           169           170 
      1   0.110239D+01 -0.649601D+01 -0.480977D+01  0.562001D+00 -0.304551D+01
      2  -0.584829D-01  0.725060D+00  0.119180D+01 -0.109560D+01  0.109538D+01
      3   0.595918D+01 -0.131601D+02 -0.217455D+01  0.276381D+01 -0.382049D+01
               171           172           173           174           175 
      1  -0.149272D+01  0.236515D+01  0.275827D+01  0.162235D+01  0.142864D+01
      2   0.340953D+00 -0.567857D+00 -0.560221D+01  0.115811D+02 -0.415329D+01
      3  -0.183395D+01 -0.742144D+01 -0.100049D+02  0.277919D+01 -0.602450D+01
               176           177           178           179           180 
      1   0.349226D+01 -0.346370D+01  0.583253D+00  0.447172D+01  0.497658D+01
      2  -0.214078D+01  0.373676D+01  0.435423D+01 -0.396853D+00  0.132325D+02
      3  -0.556118D+01  0.243859D+00  0.153733D+01  0.511459D+00 -0.201393D+00
               181           182           183           184           185 
      1  -0.198208D+01 -0.148713D+01 -0.301680D+00 -0.165279D+01 -0.312162D+01
      2  -0.815062D+00  0.125307D+00  0.376746D+01  0.104966D+01 -0.259163D+01
      3  -0.811249D+01 -0.769509D+01  0.168558D+01 -0.643792D+01 -0.138487D+02
               186           187           188           189           190 
      1   0.327126D-01  0.342887D+00  0.215258D+01 -0.590701D+00  0.119381D+00
      2   0.409680D+01  0.182757D+01  0.203986D+01 -0.141782D+01 -0.290603D+01
      3   0.418689D+01  0.139903D+01  0.372852D+01 -0.279783D+01  0.226247D+01
               191           192           193           194           195 
      1  -0.100452D+01  0.840000D+00 -0.122391D+01  0.291828D+01 -0.231335D+01
      2   0.118228D+01  0.270289D+01  0.872154D+00 -0.561701D+01 -0.877151D+01
      3  -0.447768D+01 -0.999939D+00 -0.407933D+01  0.129213D+02  0.662593D+01
               196           197           198           199           200 
      1   0.432435D+00  0.142231D+01 -0.169671D+01 -0.442920D+00  0.169177D+01
      2   0.192675D+01 -0.608728D+01 -0.888985D+01  0.757296D+00 -0.297072D+00
      3  -0.123008D+01  0.643385D+01  0.577854D+01 -0.220173D+01  0.396808D+01
               201           202           203           204           205 
      1   0.144609D+01  0.428974D+00 -0.681169D+01 -0.570932D+01  0.296550D+00
      2  -0.170354D+00 -0.615818D+00  0.253373D+01  0.207289D+01 -0.984189D+00
      3   0.145622D+01  0.419114D+01 -0.148038D+02 -0.361496D+01  0.226516D+01
               206           207           208           209           210 
      1  -0.523605D+01 -0.325866D+01 -0.200377D+01 -0.260755D+01 -0.625276D+00
      2   0.250181D+01  0.129738D+01  0.585900D+01  0.459267D+01 -0.513341D+01
      3  -0.660972D+01 -0.329381D+01  0.694692D+01  0.576964D+01 -0.247052D+01
               211           212           213           214           215 
      1  -0.218259D+01 -0.286830D+01 -0.334743D+00  0.218821D+00  0.184246D+01
      2   0.409086D+01  0.704386D+01 -0.635226D+01 -0.319361D+01 -0.378780D+01
      3   0.668327D+01  0.890728D+01 -0.465287D+01 -0.175494D+01 -0.397170D+01
               216 
      1   0.355900D+00
      2   0.570078D+01
      3   0.348891D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.477879D+01 -0.634967D+01 -0.438005D+00 -0.347807D+01  0.466760D+01
      2  -0.170667D+01  0.926051D+01  0.271133D+00  0.596625D+01 -0.123690D+02
      3  -0.307212D+01 -0.291084D+01  0.166872D+00 -0.248819D+01  0.770141D+01
      4  -0.254013D+01 -0.511827D+01  0.537077D-01 -0.984861D+01  0.776576D+01
      5   0.108697D+01 -0.149616D+01 -0.323551D+01 -0.332370D+01  0.164941D+01
      6   0.144062D+01  0.186118D+01  0.542943D+01  0.271204D+01 -0.704261D+01
                 6             7             8             9            10 
      1   0.342872D+01  0.134632D+01  0.430162D+01  0.526907D+01 -0.261636D+02
      2  -0.204071D+01  0.279546D+01 -0.107201D+02  0.312370D+01  0.139938D+02
      3  -0.138801D+01 -0.414178D+01  0.641844D+01 -0.839277D+01  0.121698D+02
      4   0.247662D+01 -0.230918D+01  0.636356D+01  0.490474D+01  0.357127D+01
      5   0.348481D+01 -0.304578D+01  0.311909D+01 -0.148348D+02 -0.118637D+01
      6  -0.728994D+01  0.416405D+01 -0.489426D+01  0.180135D+02 -0.411902D+00
                11            12            13            14            15 
      1  -0.896045D+00  0.142893D+01  0.317895D+01  0.861033D+01  0.613408D-01
      2   0.266009D+01  0.161184D+01 -0.170455D+01 -0.346525D+01 -0.112586D+01
      3  -0.176404D+01 -0.304077D+01 -0.147441D+01 -0.514508D+01  0.106452D+01
      4  -0.784654D-01  0.496981D-01  0.780617D+01  0.609050D+00 -0.229249D+01
      5  -0.109232D+00 -0.285792D+00  0.117079D+01 -0.165971D+01 -0.483334D+01
      6   0.267950D+00  0.185367D+01 -0.926842D+00 -0.565131D-01  0.232148D+00
                16            17            18            19            20 
      1  -0.496756D+01  0.162378D+01  0.122859D+02 -0.162472D+01  0.514809D+01
      2   0.307261D+01 -0.422902D+01  0.190133D+01 -0.228325D+00 -0.983788D+01
      3   0.189495D+01  0.260524D+01 -0.141873D+02  0.185305D+01  0.468979D+01
      4   0.212262D+01 -0.300533D+01 -0.263203D+01 -0.108848D+01 -0.777183D+01
      5   0.597401D+01 -0.282417D+01  0.202522D+02  0.156732D+01  0.259604D+01
      6   0.642410D+00  0.114184D+00  0.486124D+01 -0.304252D+00  0.376841D+01
                21            22            23            24            25 
      1  -0.143268D+01  0.184828D+01 -0.236779D+01 -0.324301D+01  0.145377D+01
      2   0.482869D+00 -0.657528D+01 -0.832951D+00  0.292113D+01  0.325814D+01
      3   0.949809D+00  0.472700D+01  0.320074D+01  0.321884D+00 -0.471191D+01
      4   0.106705D+01 -0.111846D+02 -0.592376D+01  0.165892D+01  0.373692D+01
      5  -0.381226D+01  0.164987D+01  0.321482D+01 -0.376251D+00 -0.232778D+01
      6  -0.553965D+01  0.271498D+01  0.466832D+01 -0.232811D+01 -0.344557D+01
                26            27            28            29            30 
      1  -0.162033D+01 -0.171190D+01 -0.145709D+02  0.718035D+01 -0.121369D+01
      2   0.556952D+01  0.583227D+01  0.672705D+01 -0.794204D+01  0.179231D+01
      3  -0.394919D+01 -0.412037D+01  0.784387D+01  0.761687D+00 -0.578618D+00
      4   0.615456D+01 -0.897169D+00  0.160073D-02 -0.176699D+01 -0.967357D-01
      5   0.622929D+00 -0.957691D+01 -0.251748D+01 -0.889212D+00 -0.120209D+01
      6   0.105393D+01 -0.139969D+02  0.212624D-01 -0.232028D+01 -0.800027D+00
                31            32            33            34            35 
      1   0.390077D+01  0.105898D+02 -0.306385D+01 -0.550015D+01 -0.197184D+00
      2  -0.277789D+01 -0.111436D+02 -0.367819D+01  0.293882D+01 -0.592653D+00
      3  -0.112288D+01  0.553830D+00  0.674204D+01  0.256133D+01  0.789837D+00
      4  -0.284191D+01 -0.778105D+01 -0.463212D+01  0.406988D+01 -0.218213D+01
      5   0.160846D+01 -0.694682D+01 -0.732708D+01  0.244759D-01 -0.207176D+01
      6  -0.380349D+01  0.319295D+01 -0.610169D+00 -0.108066D+01  0.957890D+00
                36            37            38            39            40 
      1   0.153489D+02  0.112908D+02 -0.244495D+01  0.141451D+01 -0.113948D+01
      2   0.117175D+02 -0.684207D+01  0.178223D+01 -0.151927D+01  0.171628D+01
      3  -0.270664D+02 -0.444869D+01  0.662720D+00  0.104761D+00 -0.576799D+00
      4  -0.264302D+01 -0.914096D+01  0.125361D+02 -0.221032D+00  0.125336D+02
      5   0.175169D+02  0.190491D+01  0.309855D+00  0.145094D+02 -0.109892D+01
      6   0.254051D+00  0.939288D+00  0.628018D+00  0.430738D+01  0.106726D+01
                41            42            43            44            45 
      1  -0.123474D+02  0.281058D+01  0.323903D+01  0.195346D+01 -0.449277D+01
      2   0.181380D+02  0.111310D+01 -0.385885D+01 -0.311787D+01 -0.243786D+01
      3  -0.579056D+01 -0.392367D+01  0.619820D+00  0.116441D+01  0.693064D+01
      4  -0.687657D+00  0.607408D+00 -0.537975D+01 -0.745718D+00 -0.194295D+01
      5   0.169371D+01  0.239172D+01  0.434998D+01 -0.156387D+01  0.136591D+01
      6  -0.229309D+00  0.573455D+01 -0.156118D+01  0.476429D+01  0.291664D-01
                46            47            48            49            50 
      1  -0.107491D+02  0.558759D+01  0.252853D+01 -0.263785D+01 -0.336010D+01
      2   0.919356D+01 -0.687819D+01  0.104686D+01 -0.418006D+01 -0.322177D+01
      3   0.155553D+01  0.129060D+01 -0.357538D+01  0.681791D+01  0.658187D+01
      4   0.617766D+01 -0.125579D+02 -0.132298D+01 -0.147971D+02 -0.799630D+01
      5   0.137608D+01 -0.101816D+00 -0.136671D+02  0.146720D+01  0.172967D+01
      6  -0.270747D+00  0.944723D+00 -0.797097D+01  0.293473D+00  0.463351D+01
                51            52            53            54            55 
      1  -0.394432D+01  0.354913D+01 -0.364229D+01  0.401612D+01 -0.141997D+02
      2  -0.614909D+00  0.301824D+01  0.687543D+01  0.142105D+02  0.595456D+01
      3   0.455923D+01 -0.656738D+01 -0.323314D+01 -0.182266D+02  0.824519D+01
      4   0.236476D+01  0.279443D+01  0.544704D+01 -0.120381D+00  0.216241D+02
      5   0.179080D+01 -0.575312D+01  0.970532D+00 -0.181437D+02  0.137480D+01
      6  -0.211252D+01 -0.334560D+01  0.168402D+01 -0.173871D+02  0.219023D+01
                56            57            58            59            60 
      1   0.278854D+01 -0.646889D+00  0.273693D+01 -0.239265D+02 -0.725128D+01
      2  -0.103511D+01  0.163284D+01 -0.569032D+01  0.398841D+02  0.569931D+01
      3  -0.175342D+01 -0.985955D+00  0.295338D+01 -0.159576D+02  0.155197D+01
      4   0.113616D+01  0.729211D+00  0.108241D+02 -0.198692D+02 -0.500095D+01
      5  -0.484351D+00  0.370571D+01  0.203980D+01 -0.357477D+01 -0.234639D+01
      6   0.503802D-01  0.222644D+00 -0.257215D+01  0.124136D+02  0.121239D+02
                61            62            63            64            65 
      1  -0.124183D+01 -0.929938D+01 -0.874532D+01  0.111722D+01  0.765371D+00
      2  -0.122436D+01  0.128203D+02  0.339067D+01 -0.306929D+01 -0.149663D+01
      3   0.246619D+01 -0.352096D+01  0.535465D+01  0.195207D+01  0.731260D+00
      4   0.685140D+01 -0.923667D+01 -0.526560D+01 -0.145284D+01  0.346471D+01
      5   0.555708D+01 -0.510041D+01 -0.361219D+01  0.414918D+01 -0.122969D+01
      6  -0.331244D+01  0.151423D+02  0.809441D+01 -0.353143D+01  0.441282D+00
                66            67            68            69            70 
      1   0.186579D+01  0.892758D+00 -0.349626D+01  0.279047D+01  0.148130D+01
      2  -0.238021D+01 -0.154733D+01  0.277733D+01 -0.286166D+01 -0.264724D+01
      3   0.514414D+00  0.654570D+00  0.718923D+00  0.711927D-01  0.116593D+01
      4  -0.312269D+01  0.323641D+01 -0.269559D+01  0.257113D+01 -0.461561D+01
      5   0.778912D+01 -0.270109D+00  0.253272D+01 -0.136133D+01  0.623461D+01
      6  -0.214381D+01  0.100947D+01 -0.418181D+01  0.712184D+01 -0.331046D+01
                71            72            73            74            75 
      1   0.417836D+01 -0.115255D+02  0.463054D+02 -0.141017D+02  0.298095D+01
      2  -0.365012D+01 -0.107402D+02 -0.277406D+02  0.692747D+01 -0.209755D+01
      3  -0.528240D+00  0.222656D+02 -0.185648D+02  0.717422D+01 -0.883402D+00
      4   0.409944D+01 -0.365619D+01 -0.171684D+02  0.241616D+01  0.287069D+01
      5  -0.247542D+01  0.169900D+02  0.520216D+01  0.375010D+01  0.886197D+01
      6   0.679648D+01 -0.215905D+02  0.634562D+00  0.374986D+00 -0.156446D+01
                76            77            78            79            80 
      1  -0.297365D+02 -0.829318D+01  0.349721D+01  0.159241D+02  0.333674D+01
      2   0.161992D+02  0.745152D+01 -0.168915D+01 -0.850812D+01 -0.151725D+01
      3   0.135373D+02  0.841662D+00 -0.180806D+01 -0.741599D+01 -0.181948D+01
      4  -0.287002D+01 -0.205447D+02  0.565180D+01  0.322545D+01  0.748031D+01
      5   0.458502D+01  0.675531D+01 -0.490298D+01  0.956963D+01 -0.340224D+01
      6   0.178648D+01  0.181396D+01  0.358394D+01 -0.951439D+00  0.256757D+01
                81            82            83            84            85 
      1   0.219731D+01 -0.701575D-01  0.299112D+00 -0.550925D+01  0.627936D+00
      2  -0.511594D+01 -0.292589D+01 -0.575849D-01  0.895322D+00 -0.322932D+00
      3   0.291863D+01  0.299605D+01 -0.241527D+00  0.461393D+01 -0.305004D+00
      4  -0.317338D+01 -0.188094D+00  0.143241D+00 -0.275648D+00  0.113687D+00
      5   0.298321D+01 -0.230627D+01 -0.310085D+00  0.294607D+01 -0.221331D+00
      6   0.519374D+00 -0.763978D+00  0.373982D+00 -0.561195D+00 -0.798601D-02
                86            87            88            89            90 
      1  -0.476393D+01  0.165827D+01 -0.716625D+01  0.143992D+01 -0.161223D+02
      2   0.854449D+00  0.673392D-01  0.334773D+01  0.563950D+00 -0.130499D+02
      3   0.390948D+01 -0.172561D+01  0.381852D+01 -0.200387D+01  0.291722D+02
      4   0.136976D+01 -0.225501D+01 -0.897072D+00 -0.385145D+01  0.153557D+01
      5  -0.247895D+01  0.216827D+01  0.389447D+01  0.198153D+01 -0.203554D+02
      6  -0.154050D+01  0.690668D+01 -0.162723D+00  0.406194D+01 -0.465085D+01
                91            92            93            94            95 
      1   0.148350D+01 -0.152056D+01  0.173173D+01 -0.123513D+01 -0.724736D+00
      2  -0.303090D+01  0.241814D+01 -0.140400D+01  0.191616D+01 -0.109460D+01
      3   0.154740D+01 -0.897584D+00 -0.327734D+00 -0.681027D+00  0.181934D+01
      4   0.783656D+00  0.270144D+01  0.148763D+01  0.307952D+01  0.672299D+00
      5   0.331314D+01 -0.219185D+00  0.545812D+01 -0.313056D-01  0.199375D+01
      6   0.223490D+01 -0.224149D-01  0.170836D+01  0.442838D+00  0.157229D+01
                96            97            98            99           100 
      1  -0.118111D+01  0.163231D+01 -0.290348D+01 -0.833232D+01  0.114269D+02
      2   0.207228D+01 -0.331218D+01  0.451519D+01 -0.118808D+02 -0.219868D+01
      3  -0.891172D+00  0.167987D+01 -0.161172D+01  0.202132D+02 -0.922822D+01
      4   0.234391D+01  0.265386D+01  0.310935D+01  0.108137D+01  0.186264D+02
      5   0.637559D-01  0.556536D+01 -0.149142D+00  0.126028D+02 -0.451763D+01
      6   0.404230D+01  0.229519D+01  0.310280D+01  0.141534D+02 -0.573079D+01
               101           102           103           104           105 
      1  -0.898485D+01 -0.718055D+00 -0.359672D+01  0.819074D+01  0.617771D+01
      2   0.202893D+02  0.241514D+01  0.116997D+02 -0.786004D+01 -0.837760D+01
      3  -0.113045D+02 -0.169708D+01 -0.810297D+01 -0.330709D+00  0.219989D+01
      4   0.213346D+02 -0.398310D+01  0.182828D+02  0.122505D+02 -0.411333D+01
      5  -0.120720D+01  0.828320D+01 -0.111877D+01 -0.684785D+01  0.133296D+01
      6  -0.310368D+01  0.598246D+01 -0.242384D+01 -0.106743D+02  0.687716D+01
               106           107           108           109           110 
      1  -0.187535D+01  0.106713D+02 -0.152366D+01  0.105373D+02 -0.136326D+02
      2   0.315824D+00 -0.171498D+02 -0.233817D+01 -0.740116D+01  0.101630D+02
      3   0.155952D+01  0.647849D+01  0.386182D+01 -0.313619D+01  0.346966D+01
      4  -0.775469D+01 -0.103462D+02  0.593637D+01 -0.118428D+02 -0.134401D+02
      5   0.815807D+01  0.322308D+01 -0.361873D+01  0.731379D+01  0.196603D+00
      6   0.736637D+01  0.905284D+01 -0.754221D+01 -0.152404D+01  0.522138D+01
               111           112           113           114           115 
      1   0.694074D+01 -0.142188D+02 -0.176222D+02  0.281648D+01  0.938372D+01
      2  -0.164615D+01  0.102651D+02  0.619427D+01 -0.553568D+01 -0.328418D+01
      3  -0.529459D+01  0.395364D+01  0.114279D+02  0.271920D+01 -0.609954D+01
      4  -0.166927D+01 -0.227437D+02  0.702193D+01  0.203810D+02 -0.247989D+01
      5  -0.855239D+01 -0.645628D+00  0.234520D+02  0.138023D+02 -0.257263D+02
      6   0.312842D+01  0.860791D+01 -0.828628D+01 -0.935034D+01  0.814652D+01
               116           117           118           119           120 
      1   0.271727D+01 -0.107677D+02  0.115596D+01 -0.185126D+00 -0.452755D+01
      2  -0.265422D+01  0.455831D+01 -0.431374D+01  0.167799D+00  0.115074D+01
      3  -0.630436D-01  0.620935D+01  0.315778D+01  0.173265D-01  0.337681D+01
      4   0.168659D+02  0.163868D+02 -0.214318D+00  0.128001D+01  0.102280D+01
      5   0.159666D+02 -0.477461D+01 -0.354145D+01  0.100520D+00  0.574817D+01
      6  -0.151455D+02 -0.342199D+01  0.493812D+00  0.630636D+00 -0.242232D+00
               121           122           123           124           125 
      1   0.168632D+00 -0.501547D+01  0.759539D+00 -0.411599D+01  0.978550D+00
      2  -0.472689D+00  0.772744D+00  0.177246D+01  0.475555D+01  0.775643D+00
      3   0.304058D+00  0.424272D+01 -0.253200D+01 -0.639562D+00 -0.175419D+01
      4   0.129146D+01  0.160204D+01 -0.192707D+01  0.106155D+01 -0.254240D+01
      5  -0.610711D+00 -0.250816D+01  0.206430D+01  0.698409D+01  0.108739D+01
      6   0.156824D+00 -0.376977D+00  0.698024D+01  0.570637D+00  0.510002D+01
               126           127           128           129           130 
      1  -0.207985D+02  0.105287D+02 -0.703202D+01 -0.288856D+01 -0.330548D+00
      2  -0.183146D+02  0.389276D+00  0.183616D+02  0.382822D+01  0.919036D+01
      3   0.391131D+02 -0.109179D+02 -0.113296D+02 -0.939663D+00 -0.885981D+01
      4   0.143926D+01  0.162079D+02  0.215899D+02 -0.316719D+01  0.189639D+02
      5  -0.200452D+02 -0.247358D+01  0.642181D+00  0.716810D+01 -0.179618D+00
      6   0.224340D+01 -0.375458D+01  0.159863D+01  0.569680D+01  0.370028D+00
               131           132           133           134           135 
      1   0.115176D+02  0.100055D+02 -0.437706D+01  0.162299D+02  0.957534D+00
      2  -0.103889D+02 -0.135131D+02  0.570686D+00 -0.282939D+02 -0.581709D+01
      3  -0.112869D+01  0.350765D+01  0.380637D+01  0.120640D+02  0.485955D+01
      4   0.113012D+02 -0.514102D+01 -0.892908D+01 -0.149540D+02  0.383419D+01
      5  -0.655556D+01  0.721908D+00  0.704896D+01  0.471023D+00 -0.451028D+01
      6  -0.183480D+02  0.408994D+01  0.580485D+01  0.327870D+01 -0.988335D+01
               136           137           138           139           140 
      1   0.174024D+01 -0.352907D+00  0.186726D+01 -0.104522D+01 -0.195817D+01
      2  -0.469409D+01  0.479271D+00 -0.261948D+01  0.191598D+01 -0.782098D+00
      3   0.295385D+01 -0.126364D+00  0.752223D+00 -0.870756D+00  0.274027D+01
      4   0.147069D+01  0.338492D+01  0.329109D+01  0.314023D+01  0.270100D+00
      5   0.548457D+01  0.974489D+00  0.929255D+01 -0.528781D+00  0.273620D+01
      6   0.344835D+01  0.992692D+00  0.250421D+01  0.875186D+00  0.213568D+01
               141           142           143           144           145 
      1  -0.101733D+01  0.712635D+00 -0.267235D+01 -0.139682D+02  0.233848D+02
      2   0.388000D+01 -0.402027D+01  0.362197D+01 -0.177814D+02 -0.476807D+01
      3  -0.286267D+01  0.330764D+01 -0.949617D+00  0.317496D+02 -0.186167D+02
      4   0.217866D+01  0.523836D+01  0.514488D+01  0.203772D+01 -0.357047D+02
      5  -0.222778D+01  0.939986D+01  0.163712D+01  0.207423D+02 -0.606768D+01
      6   0.455111D+01  0.387532D+01  0.571337D+01  0.194319D+02  0.191656D+01
               146           147           148           149           150 
      1  -0.273037D+01 -0.283448D+00 -0.136374D+01  0.147801D+01  0.275855D+00
      2  -0.726188D+01 -0.432627D-01 -0.357812D+01  0.390516D+01 -0.188744D+00
      3   0.999225D+01  0.326711D+00  0.494186D+01 -0.538317D+01 -0.871110D-01
      4   0.195079D+02  0.342127D+01  0.105635D+02 -0.701407D+01 -0.562609D+00
      5   0.285362D+01  0.444782D+01  0.107732D+01 -0.410258D+00 -0.152412D+01
      6  -0.281792D+01 -0.495565D+01 -0.116027D+01  0.371108D+00  0.162288D+01
               151           152           153           154           155 
      1   0.111722D+01  0.261538D+00  0.787594D+00  0.301965D+02  0.136079D+02
      2   0.501623D-01 -0.876485D+00 -0.942470D+00 -0.153656D+02 -0.667689D+01
      3  -0.116739D+01  0.614948D+00  0.154876D+00 -0.148309D+02 -0.693099D+01
      4  -0.908074D+00  0.645635D+00 -0.352462D+01  0.146175D+02  0.136498D+02
      5   0.465269D+01 -0.203986D+01 -0.114117D+01 -0.553468D+01 -0.328586D+01
      6  -0.333308D+01  0.305861D+01  0.177188D+01 -0.111116D+01 -0.742850D+00
               156           157           158           159           160 
      1  -0.462618D+01  0.252652D+02  0.133565D+02 -0.388626D+01 -0.844526D+01
      2   0.218357D+01 -0.127063D+02 -0.471837D+01  0.198306D+01  0.505022D+01
      3   0.244260D+01 -0.125588D+02 -0.863817D+01  0.190320D+01  0.339505D+01
      4  -0.280728D+01  0.182548D+02  0.194194D+02 -0.478458D+01 -0.478369D+01
      5   0.649542D+01 -0.530551D+01 -0.529632D+01  0.564876D+01  0.857503D+01
      6   0.840108D+00 -0.176586D+01 -0.147586D+01  0.136188D+01  0.172835D+01
               161           162           163           164           165 
      1  -0.429898D+01  0.498028D+01 -0.227174D+01  0.803677D+01  0.477133D+00
      2   0.248679D+01 -0.386064D+01  0.388579D+01 -0.117955D+02 -0.159014D+01
      3   0.181219D+01 -0.111964D+01 -0.161405D+01  0.375874D+01  0.111301D+01
      4  -0.583174D+01  0.388790D+01 -0.149662D+01  0.914238D+00  0.111563D+01
      5   0.444027D+01 -0.341053D+01  0.628957D+00 -0.104240D+01 -0.870487D+00
      6   0.240381D+01 -0.133932D+01  0.140042D+01  0.767983D-01 -0.129397D+01
               166           167           168           169           170 
      1   0.372868D+01 -0.262520D+02 -0.227130D+01  0.101805D+01 -0.653533D+01
      2  -0.296562D+01  0.458897D+02  0.560262D+01 -0.858182D+00  0.112301D+02
      3  -0.763052D+00 -0.196377D+02 -0.333132D+01 -0.159870D+00 -0.469474D+01
      4   0.573193D+01  0.122496D+02  0.972573D+00  0.198117D+01  0.374004D+01
      5  -0.115548D+01  0.313651D+01  0.270205D+01  0.668648D+00  0.235693D+01
      6  -0.682365D+00  0.119995D+01  0.613795D+01 -0.612564D+00  0.668009D+01
               171           172           173           174           175 
      1  -0.456276D+01  0.293817D+02  0.862692D+01  0.338617D+01  0.114573D+02
      2   0.496026D+01 -0.177673D+02 -0.725194D+01 -0.530467D+01 -0.917145D+01
      3  -0.397496D+00 -0.116143D+02 -0.137498D+01  0.191849D+01 -0.228586D+01
      4   0.116355D+01 -0.379292D+01  0.136756D+02 -0.646079D+01  0.125983D+02
      5   0.642799D+00  0.154191D+02 -0.402776D+01  0.187899D+02 -0.184955D+01
      6   0.172445D+01 -0.416086D+00  0.769470D+01 -0.673281D+01  0.561406D+01
               176           177           178           179           180 
      1   0.131026D+02 -0.470252D+01  0.665216D+01 -0.683956D+01  0.757374D+01
      2  -0.569261D+01  0.191800D+01 -0.699964D+01  0.225469D+01 -0.174736D+02
      3  -0.741001D+01  0.278451D+01  0.347475D+00  0.458487D+01  0.989986D+01
      4   0.226694D+01  0.295337D+01 -0.697935D+01  0.171031D+01 -0.836473D+01
      5   0.418433D+01  0.342426D+01  0.279455D+02 -0.759923D+01  0.279903D+02
      6   0.347788D+01  0.137196D+01 -0.850232D+01  0.926241D+01 -0.366537D+01
               181           182           183           184           185 
      1   0.309216D+02  0.155318D+02 -0.667935D+01  0.253878D+02  0.128061D+02
      2  -0.165748D+02 -0.839043D+01  0.397808D+01 -0.143057D+02 -0.472097D+01
      3  -0.143467D+02 -0.714141D+01  0.270127D+01 -0.110821D+02 -0.808511D+01
      4   0.142684D+02  0.128907D+02 -0.255794D+01  0.156224D+02  0.202984D+02
      5  -0.102796D+02 -0.445479D+01  0.923625D+01 -0.731033D+01 -0.968620D+01
      6  -0.131397D+01 -0.244656D+01  0.230398D+00 -0.290670D+01 -0.251894D+01
               186           187           188           189           190 
      1  -0.416857D+01 -0.772585D+01 -0.201829D+01  0.614195D+01  0.122392D+02
      2   0.353389D+01  0.543702D+01  0.231102D+01 -0.535063D+01 -0.433475D+01
      3   0.634685D+00  0.228884D+01 -0.292731D+00 -0.791321D+00 -0.790440D+01
      4  -0.789705D+01 -0.228503D+01 -0.622409D+01  0.454211D+01 -0.124964D+02
      5   0.845907D+01  0.118713D+02  0.599626D+01 -0.628672D+01 -0.118574D+02
      6   0.249345D+01  0.809344D+00  0.363474D+01 -0.182396D+01  0.537574D+01
               191           192           193           194           195 
      1  -0.720650D+01 -0.771103D+01 -0.113861D+02  0.367808D+01  0.733867D-01
      2   0.161711D+01  0.386805D+01  0.193720D+01  0.833448D+01  0.263551D+01
      3   0.558939D+01  0.384298D+01  0.944888D+01 -0.120126D+02 -0.270890D+01
      4   0.132986D+02  0.665970D+01  0.229116D+02 -0.311403D+02 -0.168262D+02
      5   0.627239D+01  0.978240D+01  0.115612D+02 -0.179300D+02 -0.196367D+02
      6  -0.396186D+01 -0.382085D+01 -0.769559D+01  0.148481D+02  0.136266D+02
               196           197           198           199           200 
      1  -0.909117D+01  0.509930D-01  0.155701D+01 -0.139500D+01  0.944705D+01
      2   0.522391D+01  0.141081D+01 -0.273321D+01  0.348316D+01 -0.128855D+02
      3   0.386726D+01 -0.146180D+01  0.117620D+01 -0.208816D+01  0.343843D+01
      4   0.102211D+02 -0.146718D+02 -0.152021D+02  0.125979D+01  0.321035D+01
      5   0.156613D+02 -0.159159D+02 -0.217781D+02  0.825160D+00 -0.254343D+00
      6  -0.680338D+01  0.121789D+02  0.131385D+02  0.203607D+01 -0.350867D+01
               201           202           203           204           205 
      1   0.241581D+01  0.324887D+01 -0.312232D+02 -0.715871D+01  0.174062D+01
      2  -0.309272D+01 -0.127688D+01  0.544357D+02  0.116216D+02 -0.965581D+00
      3   0.676908D+00 -0.197199D+01 -0.232124D+02 -0.446289D+01 -0.775040D+00
      4   0.126377D+01  0.652588D+01  0.187997D+02  0.325162D+01  0.300953D+01
      5   0.193374D+00  0.576575D-02  0.587062D+01  0.408631D+01  0.114382D+01
      6  -0.223922D+01 -0.380069D+00  0.146682D+02  0.970419D+01 -0.186741D+00
               206           207           208           209           210 
      1  -0.140444D+02 -0.787974D+01 -0.116432D+02 -0.100634D+02  0.729291D+01
      2   0.217807D+02  0.980474D+01  0.743463D+01  0.662368D+01 -0.228743D+01
      3  -0.773631D+01 -0.192499D+01  0.420853D+01  0.343975D+01 -0.500548D+01
      4   0.801335D+01  0.334875D+01 -0.343236D+00 -0.509981D+01  0.273002D+01
      5   0.535972D+01  0.258915D+01 -0.112216D+01  0.149391D+01 -0.590946D+01
      6   0.142229D+02  0.734024D+01 -0.299888D+01 -0.600152D+01  0.596097D+01
               211           212           213           214           215 
      1  -0.130334D+02 -0.141805D+02  0.748150D+01  0.642820D+01  0.627641D+01
      2   0.798777D+01  0.127209D+02 -0.509121D+01 -0.298366D+01 -0.346655D+01
      3   0.504563D+01  0.145956D+01 -0.239030D+01 -0.344454D+01 -0.280987D+01
      4   0.655902D+00 -0.111049D+02  0.626252D+01  0.355129D+00  0.481715D+01
      5  -0.151570D+01  0.494556D+01 -0.760530D+01  0.142444D+01 -0.295132D+01
      6  -0.308356D+01 -0.101869D+02  0.830069D+01  0.234420D+01  0.650905D+01
               216 
      1  -0.746648D+01
      2   0.155572D+01
      3   0.591076D+01
      4  -0.267622D+01
      5   0.665461D+01
      6  -0.619625D+01

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.136015D+01      0.345715D+01      0.115318D+02
   x         -0.950150D+00     -0.241504D+01     -0.805570D+01
   y         -0.753182D+00     -0.191440D+01     -0.638574D+01
   z         -0.616387D+00     -0.156670D+01     -0.522595D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.929469D+02      0.137733D+02      0.153249D+02
   aniso      0.213822D+02      0.316851D+01      0.352545D+01
   xx         0.102931D+03      0.152528D+02      0.169710D+02
   yx         0.159990D+01      0.237081D+00      0.263788D+00
   yy         0.962713D+02      0.142659D+02      0.158730D+02
   zx        -0.238553D+01     -0.353498D+00     -0.393320D+00
   zy         0.473170D+00      0.701166D-01      0.780152D-01
   zz         0.796384D+02      0.118012D+02      0.131306D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.981079D+02      0.145381D+02      0.161758D+02
   aniso      0.205387D+02      0.304353D+01      0.338638D+01
   xx         0.107850D+03      0.159818D+02      0.177821D+02
   yx         0.113910D+01      0.168797D+00      0.187812D+00
   yy         0.101301D+03      0.150113D+02      0.167023D+02
   zx        -0.175817D+01     -0.260534D+00     -0.289883D+00
   zy         0.776106D-01      0.115007D-01      0.127963D-01
   zz         0.851724D+02      0.126212D+02      0.140430D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6         -1.39912675         -2.33431250         -0.04836402
     6         -2.30070132         -0.37188228          1.83434586
     6          0.29378760         -1.13896378         -2.03439620
     6          2.43542261          0.33495594         -0.77793958
     8          1.42932261          2.10928497          1.00144991
     6         -0.02703671          0.99390709          2.94675882
     8         -3.44426995         -3.50862369         -1.33194071
     1         -0.29941926         -3.76670575          0.97659628
     8         -3.71124891         -1.65924929          3.71916855
     1         -3.47132257          1.03635577          0.86578007
     1         -0.83204797          0.17328991         -3.17245860
     8          1.41355402         -3.01318805         -3.58987134
     6          3.98327536          1.87221410         -2.64395036
     1          3.68737216         -1.01074969          0.18802768
     8         -0.93666660          2.89708927          4.52422072
     1          1.15953638         -0.35088512          4.00280117
     1         -4.57680800         -4.18144818         -0.07174569
     1         -4.31416890         -0.42232833          4.91377704
     1          0.06420821         -4.05384447         -4.23818998
     8          2.52259535          3.76229577         -3.85298949
     1          4.69744744          0.62466809         -4.11594978
     1          5.59227212          2.70631076         -1.63962307
     1          0.46053870          3.65610318          5.41331163
     1          1.73239876          4.75285329         -2.54136350

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.136015D+01      0.345715D+01      0.115318D+02
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.136015D+01      0.345715D+01      0.115318D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.929469D+02      0.137733D+02      0.153249D+02
   aniso      0.213822D+02      0.316851D+01      0.352545D+01
   xx         0.929163D+02      0.137688D+02      0.153198D+02
   yx         0.641705D+01      0.950909D+00      0.105803D+01
   yy         0.898541D+02      0.133150D+02      0.148149D+02
   zx        -0.885236D+01     -0.131178D+01     -0.145956D+01
   zy         0.481622D+01      0.713690D+00      0.794088D+00
   zz         0.960701D+02      0.142361D+02      0.158398D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.981079D+02      0.145381D+02      0.161758D+02
   aniso      0.205387D+02      0.304353D+01      0.338638D+01
   xx         0.975772D+02      0.144594D+02      0.160883D+02
   yx         0.643096D+01      0.952969D+00      0.106032D+01
   yy         0.957548D+02      0.141894D+02      0.157878D+02
   zx        -0.864111D+01     -0.128048D+01     -0.142473D+01
   zy         0.418565D+01      0.620249D+00      0.690120D+00
   zz         0.100992D+03      0.149654D+02      0.166513D+02

 ----------------------------------------------------------------------
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 ,4.2198272,-0.423783,0.316374,-2.5440899,2.3184858\PG=C01 [X(C6H12O6)]
 \NImag=0\\0.52247322,-0.00213101,0.48530827,0.02398021,-0.02032033,0.5
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 AN AIRPLANE IS A COLLECTION OF SPARE PARTS
 FLYING IN CLOSE FORMATION.
 Job cpu time:       0 days  6 hours 46 minutes 50.8 seconds.
 Elapsed time:       0 days  0 hours 50 minutes 56.9 seconds.
 File lengths (MBytes):  RWF=    419 Int=      0 D2E=      0 Chk=     15 Scr=      2
 Normal termination of Gaussian 16 at Mon Sep 27 12:03:43 2021.
